AsCA'13
Hong Kong

The12th Meeting of the Asian
Crystallographic Association
7-10 December 2013
The Hong Kong University of Science and Technology

AsCA'13 Program

Page 1AsCA'13 - Plenary and Keynote Sessions
Saturday 7 December

19.30-20.25

19.30-20.25

Opening Plenary Lecture

19.30 PL-1

Plenary Lecture 1:
CRYSTALLOGRAPHY AND LARGE RESEARCH INFRASTRUCTURES
Sine LARSEN University of Copenhagen, Denmark. (ASCA130250)

Sunday 8 December

Lecture Theatre A

08.40-10.30

08.40

Keynote Session 1: Official Welcome

09.00 KN-1

Keynote Lecture 1:
CUCURBITURIL: NEW TRICKS WITH AN OLD MOLECULE
Kimoon KIM POSTECH, Pohang, Korea (ASCA130343)

Lecture Theatre A

09.45 KN-2 Keynote Lecture 2:
STRUCTURAL BASIS OF MOLECULAR MECHANISMS OF PROTON-DRIVENANTI-PORTERS OF CATIONS AND DRUGS
Osamu NUREKI, Tomohiro Nishimasu, Yoshiki Tanaka and Ryuichiro Ishitani
University of Tokyo, Japan (ASCA130243)

Monday 9 December

08.50-10.35

08.50- 10.35 Plenary and IYCr2014 Session:

Lecture Theatre A

08.50 PL-2

Plenary Lecture 2:
ELECTRIDE: MATERIALS, STRUCTURE AND PROPERTIES
Hideo HOSONO Tokyo Institute of Technology, Yokohama, Japan (ASCA130342)

09.40

INTERNATIONAL YEAR OF CRYSTALLOGRAPHY 2014
(Gautam Desiraju, Michele Zema, IUCr)

10.10

IYCR2014 ACTIVITIES IN THE ASIA REGION(Various speakers)

AsCA'13 Program

Page 2AsCA'13 - Plenary and Keynote Sessions
Tuesday 10 December
08.50- 10.30 Keynote Session 2:

Lecture Theatre J

08.50 KN-3

Keynote Lecture 3:
STRUCTURE DETERMINATION OF MOLECULAR SOLIDS FROM POWDER X-RAY
DIFFRACTION DATA: CURRENT OPPORTUNITIES AND "STATE OF THE ART
Kenneth D.M. HARRIS Univ. Cardiff, U.K. (ASCA130343)

09.45 KN-4

Keynote Lecture 4:
BRAGGS’ LEGACY: HOW MODERN SCIENCE BENEFITS
Judith A.K. HOWARD Durham Univ., U.K. (ASCA130264)

16.20-18.30

Final Plenary Session:

16.20-17.20

MS-19 (see p27 for full details)

17.20

18.10

Lecture Theatre A

PL-3 Plenary Lecture 3:
CRYSTAL ENGINEERING OF POROUS MATERIAL PLATFORMS
Mike ZAWOROTKO 1University of South Florida, Tampa, FL, U.S.A.
2
Univ. Limerick, Ireland (ASCA130032)

Plans for AsCA'15 and Concluding Remarks

AsCA'13 Program

Page 3

AsCA'13 - Workshop Schedules:
Saturday 7 December
Olex2 Asian Workshop

09.00- 17.00

Lecture Theatre K

South China Structural Biology Symposium 09.00-17.30

Lecture Theatre J

Sunday 8 December
CCP4 Workshop

16.15-18.00

Lecture Theatre K

Bruker APEX2 Workshop

16.15-18.00

Lecture Theatre D

Cambridge Structural Database Workshop 16.15-18.00

Lecture Theatre E

Bruker PROTEUM2 Workshop

Room 2612

Monday 9 December

16.15-18.00

Lunch-time Meetings

13.00-13.45

Sunday 8 December

Bruker AXS

Lecture Theatre K

Monday 9 December

RigakuLecture Theatre K

AsCA'13 - Council Meetings
Monday 9 December

16.00-18.00

Lecture Theatre K

Tuesday 10 December

13.00-14.00

Lecture Theatre K

AsCA'13 Program

Page 4

South China Structural Biology Symposium
Saturday 7 December

09.00-17.30

08.30

Registration

Session 1

Convenor and Chair: Zhihong GUO, Hong Kong Univ. Science and Tech.

09.00

Welcome and Introduction

09.15 S-1

Keynote Lecture 1.
STRUCTURE-BASED DRUG DISCOVERY – FROM INFLUENZA VIRUS TO APOPTOSISPeter COLMAN , Peter E Czabotar, Guillaume Lessene
Walter &Eliza Hall Inst. of Med. Research (WEHI), Melbourne, Australia (ASCA130355)

10.00 S-2

THE ENGINEERING OF RIBOSOME-INACTIVATING PROTEIN FOR INCREASING ITSSPECIFICITY TOWARD HUMAN IMMUNODEFICIENCY VIRUS INFECTED CELLS
Pangchui SHAW, Chinese Univ. Hong Kong(ASCA130356)

10.30

Coffee BreakSession 2

Chair: Pangchui SHAW, Chinese Univ. Hong Kong

10.50 S-3

STRUCTURAL INSIGHTS INTO HOST-PATHOGEN SURVIVAL GAMES
Se Won SUH, Seoul National Univ., Korea (ASCA130002)

11.20 S-4

STRUCTURAL STUDIES ON SORTING NEXINS
Jinsong LIU, Guangzhou Institutes of Biomedicine and Health (GIBH), Chinese Academy of
Sciences, China. (ASCA130115)

11.50 S-5

NOVEL PROTEIN POST-TRANSLATIONAL MODIFICATIONS REVEALED BY THE CRYSTALSTRUCTURE OF SIRT5
Quan HAO Univ. Hong Kong (ASCA130357)

12.20

Lunch (University Ground Floor Restaurant)

AsCA'13 Program

Page 5

South China Structural Biology Symposium contd.
Saturday 7 December

09.00-17.30

Session 3

Chair: Quan HAO, Univ. Hong Kong

14.00 S-6

Keynote Lecture 2.
RESIDUE-SPECIFIC PROTEIN FORCE FIELDS AND THEIR APPLICATIONSYunDong WU Peking Univ. Shenzhen, China (ASCA130254)

14.45 S-7

INVESTIGATING CONFORMATIONAL CHANGES OF BIOLOGICAL MACROMOLECULES USINGKINETIC NETWORK MODELS Xuhui HUANG, Hong Kong Univ. Sci. and Tech. (ASCA130358)

15.15 S-8

STRUCTURAL BASIS FOR DRUG DISCOVERY TARGETING NUCLEAR RECEPTORS
Yong LI, Xiamen University, Xiamen, China. (ASCA130251)

15.30

Tea BreakSession 4

Chair: Xuhui HUANG, Hong Kong Univ. Science and Tech.

15.50 S-9

DISSECTING THE ACTIVE SITE OF CLASS A BETA LACTAMASE TO UNCOVER ALTERNATIVEREACTION PATHWAYS Yanxiang ZHAO, Polytechnic Univ. Hong Kong. (ASCA130359)

16.20 S-10

STRUCTURE-FUNCTIONAL STUDY OF HUMAN PROTEINS THAT REGULATE CELLPROLIFERATION AND DIFFERENTIATION
Guang ZHU, Hong Kong Univ. Science and Tech. (ASCA130360)

16.50 S-11

STRUCTURAL INSIGHTS INTO HOW UREASE ACCESSORY PROTEINS FACILITATE
MATURATION OF UREASE
Kam Bo WONG, Chinese Univ. of Hong Kong (ASCA130300)

17.20 S-12

STRUCTURAL BASIS OF CARGO RECOGNITION MECHANISMS FOR UNUSUAL MYOSINS
Zhiyi WEI South China U.S.T., Shenzhen

17.50

Final Discussion and Adjournment

AsCA'13 Program

Page 6

AsCA'13

Oral Program - Microsymposia

Area 1. Structural Biology
MS-1

Membrane Proteins

Sunday 8 December

10.50-12.50

MS-4

Macromolecular Complexes & Assemblies

Sunday 8 December

14.00-16.00

MS-7A New Tools and Methods in Structural Biology I

Sunday 8 December

16.15-18.00

MS-7B New Tools and Methods in Structural Biology II

Monday 9 December

10.50-12.50

MS-10 Drug discovery/Disease-related Proteins

Monday 9 December

14.00-16.00

MS-13 Hot Structures in Biology

Tuesday 10 December 10.50-12.50

MS-16 Enzymes and Enzyme Inhibitors

Tuesday 10 December 14.00-16.00

Area 2. Chemical Crystallography
MS-2

Metal-Organic Structural Chemistry

Sunday 8 December

10.50-12.50

MS-5

Chemical Crystallography - Structure and Properties

Sunday 8 December

14.00-16.00

MS-8

Dynamic Aspects of Crystals

Monday 9 December

10.50-12.50

MS-11 Magnetic and Conductive Materials

Monday 9 December

14.00-16.00

MS-14 Nano- and Energy Related Materials

Tuesday 10 December 10.50-12.50

MS-17 Crystal Growth and Engineering

Tuesday 10 December 14.00-16.00

Area 3. Physical Techniques
MS-3

Computation in Crystallography

Sunday 8 December

10.50-12.50

MS-6

Neutron Diffraction

Sunday 8 December

14.00-16.00

MS-9

Charge Density and Electron Diffraction

Monday 9 December

10.50-12.50

MS-12 X-ray Sources and Detectors

Monday 9 December

14.00-16.00

MS-15 X-ray Free Electron Laser (XFEL)

Tuesday 10 December 10.50-12.50

MS-18 Diffraction and Complementary Methods

Tuesday 10 December 14.00-16.00

MS-19 General Interest I (Biol)

Tuesday 10 December 16.20-17.10

MS-20 General Interest II (Chem)

Tuesday 10 December 16.20-17.10

AsCA'13 Program

Page 7

AsCA'13 Sunday 8 December
MS-1

List of Oral Presentations

10.50-12.50

Membrane Proteins

Chair: Peng ZHANG Shanghai Inst. Biol. Sci., China

Lecture Theatre J
Co-Chair: Alice VRIELINK, UWA, Australia

10.50 O1-1

MODIFICATIONS TO THE PROTEIN DATA BANK (PDB)
Genji KURISU, Atsushi NAKAGAWA, Haruki NAKAMURA Osaka Univ., Japan (ASCA130144)

11.15 O1-2

KINK CHARACTERIZATION AND KNOWLEDGE-BASED MODELING OF TRANS-MEMBRANE
PROTEINS
William Bret CHURCH and Tim Werner University of Sydney, Australia (ASCA130242)

11.40 O1-3

CRYSTAL STRUCTURE OF AN ENDOTOXIN MODIFYING ENZYME FROM NEISSERIA
Alice VRIELINK, Anandhi Anandan and Charlene M. Kahler Univ. Western Australia,
Crawley, Australia (ASCA130058)

12.05 O1-4

CRYSTAL STRUCTURE OF OXYGEN EVOLVING PHOTOSYSTEM II AT 1.95Å RESOLUTION
WITH REDUCED RADIATION DAMAGE
Michi SUGA, Fusamichi Akita and Jian-Ren Shen Okayama University, Japan(ASCA130051)

12.30 O1-5

STRUCTURAL STUDIES ON THE EXTRACELLULAR DOMAINS OF THE MAMMALIAN PEPTIDE
TRANSPORTERS, PEPT1 AND PEPT2.
John BEALE, Louise Bird2, Ray Owens2 and Simon Newstead1 1University of Oxford, U.K.
2
Rutherford Appleton Laboratory, Harwell, U.K. (ASCA130046)

AsCA'13 Program

Page 8Sunday 8 December
MS-2

10.50-12.50

Metal-Organic Structural Chemistry

Lecture Theatre E

Chair: Myoung Soo Lah, Ulsan Natl. Inst. Sci. Tech., Korea
Co-Chair: Sue-Lein Wang, Natl. Tsinghua Univ., Taiwan

10.50 O2-1

NEW TEM TECHNIQUES FOR SOLVING UNKNOWN STRUCTURES OF SUBMICRON- AND
NANO-SIZED CRYSTALS
Xiaodong ZOU Stockholm Univ., Sweden (ASCA130234)

11.15 O2-2

CRYSTAL-TO-CRYSTAL TRANSFORMATION OF A ZEOLITIC IMIDAZOLATE FRAMEWORK
Jaehon KIM Soongsil Univ., Seoul, Korea (ASCA130230)

11.40 O2-3

DESIGN OF NEW METAL-ORGANIC FRAMEWORKS TOWARD MULTIPLE FUNCTIONS
Xian-he BU Nankai Univ., Tianjin, China (ASCA130200)

12.05 O2-4

EXPLOSIVES SENSING BY NANOSCOPIC ARCHITECTURES AND ORGANIC REACTIONS INCONFINED NANOSPACE
Partha S. MUKHERJEE IIS Bangalore, India (ASCA130135)

12.30 O2-5

DESIGN OF COORDINATION NETWORKS USING MULTI-INTERACTIVE LIGAND TPHAP– VIA
WEAK INTERMOLECULAR INTERACTION
Tatsuhiro KOJIMA, Tomofumi Yamada,2 and Masaki Kawano1 1POSTECH, Pohang, Korea
and Gifu Univ., Japan (ASCA130023)

AsCA'13 Program

Page 9Sunday 8 December
MS-3

10.50-12.50

Computation in Crystallography

Chair: Ross PILTZ, ANSTO, Australia

Lecture Theatre K

Co-Chair: Horst PUSCHMANN, Univ. Durham, U.K.

10.50 O3-1

AMPLE - USING AB INITIO PROTEIN STRUCTURE MODELLING TECHNIQUES TO
CREATE AND ENHANCE SEARCH MODELS FOR USE IN MOLECULAR REPLACEMENT
Ronan KEEGAN1, Jaclyn Bibby2 Jens Thomas2 Daniel Rigden2, Martyn Winn3 1CCP4, STFC,
Harwell, 2University of Liverpool, 3STFC Daresbury Laboratory, Warrington U.K.
(ASCA130156)

11.15 O3-2

X-RAY WAVEFUNCTION REFINEMENT – INTRODUCTION, EXAMPLES, VALIDATION
Simon GRABOWSKY,1 Magdalena Woinska,1,2 Joanna M. Bąk,1,2 Dylan Jayatilaka1
Univ. Western Australia, Crawley, Australia 2Univ Warsaw, Poland (ASCA130091)

11.40 O3-3

CHALLENGES AND SOLUTIONS TO ADDING 200 STRUCTURES A DAY INTO THECAMBRIDGE STRUCTURAL DATABASE
Suzanna WARD, Colin R Groom, Matthew Lightfoot and Jenny Field CCDC, Cambridge,
U.K. (ASCA130161)

12.00 O3-4

A NEW GENERATION OF CCP4 MONOMER LIBRARY BASED ON CRYSTALLOGRAPHY OPENDATABASE (COD)
Fei LONG1, Saulius Grazulis2, Andrius Merkys2, and Garib Murshudov1 1MRC Lab
Cambridge, U.K. 2Vilnius Univ., Lithuania (ASCA130122)

12.20 O3-5

MODELING MILLISECOND DYNAMICS OF RNA POLYMERASE II TRANSLOCATION AT
ATOMIC RESOLUTION USING MARKOV STATE MODELS
Fatima PARDO-AVILA, Lintai Da, Daniel Silva and Xuhui Huang HKUST, Hong Kong
(ASCA130077)

12.35 O3-6

MAPPING CRYSTALLINE MOLECULAR GEOMETRIES TO THE CONFORMATIONAL ENERGYLANDSCAPE
Hugh P.G. THOMPSON1 and Graeme M. Day1,2 1Univ. Cambridge, and 2Univ.
Southampton, U.K. (ASCA130099)

AsCA'13 Program

Page 10

Sunday 8 December
MS-4

14.00-16.00

Macromolecular Complexes & Assemblies

Chair: Ruchi ANAND, IIT, Bombay, India

Lecture Theatre J

Co-Chair: Balaji PRAKASH, IIT Kanpur, India

14.00 O4-1

POTENTIAL ANTIBACTERIALS THAT TARGET THE ENZYME BIOTIN PROTEIN LIGASEFROM STAPHYLOCOCCUS AUREUS
Matthew WILCE et al. Monash Univ., Clayton, Australia (AsCA130219)

14.25 O4-2

STRUCTURAL BIOLOGY OF MALARIA PARASITE PROTEINS: SOME INSIGHTS
Amit SHARMA ICGEB, New Delhi, India (AsCA130186)

14.50 O4-3

BINDING OF DAMAGED DNA INDUCES DIMERIZATION OF UV-DAMAGED DNA BINDING
PROTEIN (UVDDB): INVESTIGATING THE ROLE OF OLIGOMERIZATION IN CHROMATINIZEDDNA REPAIR
Joanne I. YEH et al Univ. Pittsburgh Medical School, PA, U.S.A. (ASCA130048)

15.15 O4-4

THE CRYSTAL STRUCTURE OF SFPQ REVEALS A POLYVALENT MOLECULAR GLUE FORHOLDING NUCLEAR BODIES TOGETHER
Mihwa Lee, Agata Sadowska, Archa H Fox and Charles S. BOND Univ. Western Australia,
Crawley, Australia (ASCA130090)

15.40 O4-5

Nα-ACETYLATED SIR3 STABILIZES THE CONFORMATION OF A NUCLEOSOME-BINDING LOOP
IN THE BAH DOMAIN
Qianglin FANG, Dongxue Yang, Mingzhu Wang, Na Yang, Rui-Ming Xu
Inst. for Bio-Physics, CAS, Beijing, China (AsCA130007)

AsCA'13 Program

Page 11Sunday 8 December
MS-5

14.00-16.00

Chemical Crystallography - Structure and Properties Lecture Theatre E

Chair: Edward R.T. Tiekink, Univ. Malaya, Malaysia

Co-Chair: Jun Harada, Hokkaido Univ., Japan

14.00 O5-1

CRYSTAL STRUCTURE-FUNCTION RELATIONSHIPS IN POROUS ORGANIC-INORGANICIONIC CRYSTALS
Sayaka UCHIDA Univ. Tokyo, Japan (ASCA130222)

14.25 O5-2

KINETIC ASSEMBLY OF POROUS COORDINATION NETWORKS
Masaki KAWANO POSTECH , Pohang, Korea (ASCA130035)

14.50 O5-3

OLEX2 – ALL YOU NEED FOR SMALL-MOLECULE STRUCTURE DETERMINATION
Horst PUSCHMANN and Oleg Dolomanov Univ. Durham, U.K. (ASCA130107)

15.15 O5-4

ZN(II), CD(II) AND HG(II) COMPLEXES OF N,N,N-DONOR LIGANDS: METALLOCYCLES VERSUSCOORDINATION POLYMERS.
Jim SIMPSON1, Saeed Dehghanpour2, Robabehsadat Tabatabaei2 1Univ. Otago, Dunedin,
New Zealand and 2Alzahra University, Tehran, Iran (ASCA130126)

15.30 O5-5

CRYSTAL STRUCTURE, LOCAL STRUCTURE AND PHOTOLUMINESCENCE PROPERTY OF
KNDW2O8 POLYMORPHS
Swetha BHAT1, Diptikanta Swain2, Chandrabhas Narayana1,2, Mikhail Feygenson3, Joerg C
Neuefeind3 and Nalini G Sundarama1 1Poornaprajna Inst. 2J. Nehru Centre, Bengaluru,
India, 3Oak Ridge National Laboratory, Oak Ridge, TN, U.S.A. (ASCA130190)

15.45 O5-6

EXPERIMENTAL AND THEORETICAL CHARGE DENSITY ANALYSIS OF BROMOETHYL
SULFONIUM TRIFLUOROMETHANE SULFONATE: ATOMIC CHARGES AND THEIRIMPLICATIONS FOR REACTION MECHANISM
Maqsood AHMED1,3, Muhammad Yar2, Ayoub Nassour1, Benoit Guillot1, Christian Jelsch1 &Claude Lecomte3 1Islamia University of Bahawalpur, 2COMSATS Inst. Info.Tech., Lahore,
Pakistan and 3Université de Lorraine, Nancy, France (ASCA130036)

AsCA'13 Program

Page 12Sunday 8 December
MS-6

14.00-16.00

Neutron Diffraction

Chair: Shin-Ae KIM, KAERI, Korea

Lecture Theatre K
Co-Chair: Kirrily RULE, ANSTO, Australia

14.00 O6-1

A NEW NEUTRON SINGLE-CRYSTAL DIFFRACTOMETER WITH CURVED
DETECTOR
Chang-Hee LEE1, Yukio Noda2, Shin Ae Kim1, Myungkook Moon1, Yoshihisa Ishikawa3 andHiroyuki Kimura2 1KAERI, Daejeon, Korea, 2Tohoku University, Sendai and 3 KEK,
Japan(ASCA130225)

14.25 O6-2

SIKA: TAIWAN’S COLD NEUTRON TRIPLE-AXIS AT OPAL
Jason S GARDNER1,2, C. M. Wu1 and G. Deng3 1NSRRC, Hsinchu, 2National Taiwan
Univ., Taipei, Taiwan 3ANSTO, Lucas Heights, NSW, Australia (ASCA130273)

14.50 O6-3

KOALA SINGLE-CRYSTAL NEUTRON DIFFRACTOMETER
Ross O. PILTZ ANSTO, Lucas Heights, NSW, Australia (ASCA130259)

15.15 O6-4

IT DEPENDS ON HOW YOU SKIN THE CAT. STUDIES OF THE PYROCHLORE-FLUORITE
TRANSFORMATION.
Peter E.R. Blanchard, Brendan J. KENNEDY and Emily Reynolds, Univ. Sydney, NSW
Australia (ASCA130131)

15.40 O6-5

NEUTRON DIFFRACTION STUDIES OF VERY SHORT O-H...O HYDROGEN BONDS INVOLVING
AN AMINE OXIDE AND CARBOXYLIC ACIDS
Yuxin ZHANG1, Alison J. Edwards2, Fion T-Y. Yeong1, Herman H-Y. Sung1 and Ian D. Williams1
1
HKUST, Hong Kong 2The Bragg Institute, ANSTO, Lucas Heights, Australia (ASCA130258)

AsCA'13 Program

Page 13

Sunday 8 December
MS-7A

16.15-18.00

New Tools and Methods in Structural Biology I

Chair: Quan HAO, Hong Kong University

Lecture Theatre J

Co-Chair: Changyong SONG, RIKEN, Japan

16.15 O7-1

TEMPERATURE-MIMICS-TIME: A DYNAMIC CRYSTALLOGRAPHIC APPROACH TO CAPTURE
REACTION INTERMEDIATES
Xiaojing YANG,1-3 Xiaoli Zeng1, Jane Kuk2, Keith Moffat2, Kai-Hong Zhao1 and Zhong Ren
1.
Huazhong Agricultural Univ., Wuhan, China. 2. Univ. Chicago, U.S.A. 3. Renz ResearchInc., Westmont IL, U.S.A. (ASCA130174)

16.40 O7-2

COMPLEMENTARY APPROACHES IN STRUCTURAL BIOLOGY AND DRUG DISCOVERY
Jennifer L. MARTIN Univ. Queensland, Brisbane, Australia (ASCA130038)

17.05 O7-3

HOW TO USE RANDOM MICROSEEDING BEFORE YOU GET YOUR FIRST CRYSTALSPatrick SHAW STEWART Douglas Instruments, Hungerford, U.K. (ASCA130310)

17.25 O7-4

HAPPY MARRIAGES AMONG BIOPHYSICAL TECHNIQUES
Kunchithapadam SWAMINATHAN National Univ. Singapore, Singapore(AsCA130141)

17.45 O7-5

ADVANCED CRYSTAL MOUNTING TOOL FOR GAS PRESSURIZATION IMPROVES EFFICIENCYOF XENON-DERIVATIZATION
Nobuhiro MIZUNO, Masatomo Makino, Takashi Kumasaka JASRI-Spring8, Hyogo, Japan(ASCA130217)

AsCA'13 Program

Page 14

Monday 9 December
MS-7B

10.50-12.50

New Tools and Methods in Structural Biology II

Chair: Quan HAO, Hong Kong University

Lecture Theatre J

Co-Chair: Changyong SONG, RIKEN, Japan

10.50 O7-6

FEMTOSECOND CRYSTALLOGRAPHY AT SACLA TARGETING HIGH-RESOLUTION CRYSTALSTRUCTURE DETERMINATION OF LARGE BIOLOGICAL MACROMOLECULES FREE OF
RADIATION DAMAGE.
Hideo AGO et al. RIKEN SPring-8 Center, Hyogo, Japan (AsCA130240)

11.15 O7-7

HIGH-RESOLUTION COHERENT DIFFRACTION IMAGING WITH SYNCHROTRONRADIATION AND XFELS
Huidong JIANG1, Jiadong Fan1, Jian Zhang1, Zhibin Sun1, and Changyong Song2
1
Shandong University, Jinan, China. 2RIKEN SPring-8 Center, Hyogo, Japan (AsCA130268)

11.40 O7-8

NANO-SCALE IMAGING OF BIO SPECIMENS WITH COHERENT X-RAY DIFFRACTIONMICROSCOPY
Jaehyun PARK, Marcus Gallagher-Jones1,2, Daewoong Nam1,3, Sangsoo Kim1, Sunam Kim1
and Changyong Song1. 1RIKEN SPring-8 Center, Hyogo, Japan 2Univ. Liverpool, U. K.
3
POSTECH, Pohang, Korea (AsCA130191)

12.05 O7-9

SINGLE BIOMOLECULE IMAGING USING FLUORESCENCE POLARIZATION
Jong-Bong LEE POSTECH, Pohang, Korea (AsCA130276)

12.30 O7-10 LOW RESOLUTION MODEL BUILDING AND REFINEMENT TOOLS IN COOT AND REFMAC5
Andrea Thorn, Rob Nicholls, Paul Emsley, Fei Long and Garib Murshudov
MRC Laboratory, Cambridge, UK. (AsCA130098)

AsCA'13 Program

Page 15

Monday 9 December
MS-8

10.50-12.50

Dynamic Aspects of Crystals

Chair: Masaki Kawano, POSTECH, Pohang Korea

Lecture Theatre E
Co-Chair: Shin-ichi Adachi, KEK, Japan

10.50 O8-1

SOLID STATE STRUCTURAL TRANSFORMATIONS IN COORDINATION POLYMERS
J.J. VITTAL1,2, Anjana Chanthappalli,1 Raghav Medishetty,1 In-Hyeok Park2 and Shim Sung
Lee2 1National University of Singapore, 2Gyeongsang National University, Jinju, Korea(ASCA130137)

11.15 O8-2

MECHANO-TRIGGERED SINGLE-CRYSTAL-TO-SINGLE-CRYSTAL TRANSFORMATION OF
GOLD(I) ISOCYANIDE COMPLEXES
Hajime ITO Hokkaido Univ., Japan (ASCA130148)

11.40 O8-3

TIME-RESOLVED STUDIES OF ULTRAFAST DYNAMICS BY MEANS OF PULSED WHITE X-RAY
BEAMS
Shunsuke NOZAWA, Tokushi Sato, Ayana Tomita, Manabu Hoshino, Shin-ya Koshihara,
Shin-ichi Adachi KEK, Tsukuba, Japan (ASCA130229)

12.00 O8-4

AN ADAPTABLE AND DYNAMICALLY POROUS ORGANIC SALT TRAPS UNIQUETETRAHALIDE DIANIONS
Javier MARTI-RUJAS Italian Institute of Technology, Milan, Italy (ASCA130150)

12.20 O8-5

GUEST SORPTION AND RELEASE OF THE MACROCYCLIC BRONIC ESTER POROUS CRYSTALSINVESTIGATED BY AB INITIO STRUCTURE DETERMINATION FROM POWDER DIFFRACTIONDATA
Hidehiro UEKUSA1, Kotaro Fujii1, Yuji Kikuchi2, Hiroki Takahagi2, Kosuke Ono2, andNobuharu Iwasawa2 Tokyo Inst. Tech., Japan (ASCA130075)

12.35 O8-6

ANOMALOUS THERMAL EXPANSION IN PILLARED-PADDLEWHEEL COORDINATIONFRAMEWORKS: MECHANISMS AND APPLICATIONS
Yue WU and Cameron J. Kepert Univ. Sydney, Australia (ASCA130139)

AsCA'13 Program

Page 16

Monday 9 December
MS-910.50-12.50

Charge Density and Electron Diffraction

Chair: P. NAKASHIMA, Monash Univ., Australia

Lecture Theatre K

Co-Chair: S. GRABOWSKY, Univ. Western Australia

10.50 O9-1

STUDY OF NANOSCALE LOCAL STRUCTURES OF FERROELECTRIC BARIUM
TITANATE USING CONVERGENT-BEAM ELECTRON DIFFRACTION
Kenji TSUDA, Rikiya Sano, Akira Yasuhara and Michiyoshi Tanaka Tohoku Univ., Japan(ASCA130065)

11.15 O9-2

CHARGE DENSITY DETERMINATION BY CONVERGENT BEAM ELECTRON DIFFRACTION &DFT CALCULATIONS FOR TRANSITION METALS & INTERMETALLICS
Jorg WIEZOREK, Xiahan Sang, Andreas Kulovits and Guofeng Wang Univ. Pittsburgh, PA,
U.S.A. (ASCA130152)

11.40 O9-3

HOST-GUEST INTERACTION ANDCREDUCTION OF THERMAL CONDUCTIVITY IN
THERMOELECTRIC MATERIALS OF TYPE-I CLATHRATES
Akihiro FUJIWARA1,2, Kunihisa Sugimoto1, Hitoshi Tanaka3, Yoichi Tanabe2, Satoshi
Heguri2, Katsumi Tanigaki2 and Masaki Takata1,4 1SPring-8 Hyogo, 2Tohoku Univ., Sendai,
3
Shimane Univ., 4Univ. Tokyo, Japan (ASCA130261)

12.00 O9-4

PROBING THE STRUCTURAL, ELECTRICAL AND MECHANICAL BEHAVIORS OF NANOMATERIALS BY ADVANCED TEM TECHNIQUESJianbo WANG Wuhan Univ., China (ASCA130270)

12.20 O9-5

THREE DIMENSIONAL INVESTIGATIONS OF DEFORMATION AND RECRYSTALLIZATIONSTRUCTURES OF METALS BY ELECTRON BACK SCATTER DIFFRACTION TECHNIQUE
Zakaria QUADIR, N Afrina, L Bassman2, W Xu, P. Munroe and M Ferry Univ. New South
Wales, Sydney, NSW, Australia 2Harvey Mudd College, Los Angeles, CA, U.S.A.
(ASCA130181)

12.35 O9-6

AN INSIGHT INTO THE STRUCTURAL AND BONDING FEATURES OFTETRAARYLCYCLOPENTADIENONES AND RELATED COMPOUNDS THROUGH X-RAY
CRYSTALLOGRAPHY AND CHARGE DENSITY ANALYSIS
Somnath MUKHERJEE, Sosale Chandrasekhar, Rumpa Paul, T. N. Guru Row IIS Bangalore,
India (ASCA130017)

AsCA'13 Program

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Monday 9 December
MS-10
Chair:

14.00-16.00

Drug discovery/Disease-related ProteinsPeter CZABOTAR, WEHI, Australia

Lecture Theatre J

Co-Chair: J. SIVARAMAN, NUS, Singapore

14.00 O10-1 SPRING-HAMMER MECHANISM OF METAL ION BINDING AND RELEASE BY THE
STREPTOCOCCUS PNEUMONIAE SUBSTRATE-BINDING PROTEIN PSAA
Bostjan KOBE et al. U. Queensland, Brisbane, and Univ. Adelaide, Australia(ASCA130068)

14.25 O10-2 STRUCTURAL BASIS FOR THE NEUTRALIZATION OF HEPATITIS E VIRUS USING
MONOCLONAL ANTIBODY
Jayaraman SIVARAMAN et al. National University of Singapore, and Xiamen Univ. China(ASCA130143)

14.50 O10-3 STRUCTURAL BASIS FOR HAEMOGLOBIN CAPTURE BY STAPHYLOCOCCUS AUREUSSTEALING HAEM FROM HAEMOGLOBIN
Mitchell GUSS et al. Univ. Sydney, Univ. Tasmania, WEHI and Australian Synchrotron,
Australia, and U.C.L.A., Los Angeles, CA, U.S.A. (ASCA130050)

15.15 O10-4 CRYSTAL STRUCTURES OF VERTEBRATE DIHYDROPYRIMIDINASE AND COMPLEXESFROM TETRAODON NIGROVIRIDIS WITH LYSINE CARBAMYLATION: METAL AND
STRUCTURAL REQUIREMENTS FOR POST-TRANSLATIONAL MODIFICATION AND FUNCTION
Chun-Jung CHEN et al National Synchrotron Radiation Research Center, Hsinchu, Taiwan.
(ASCA130187)

15.40 O10-5 STRUCTURE OF SORTING NEXIN 11 (SNX11) REVEALS NOVEL EXTENDED PHOX HOMOLOGY(PX) DOMAIN CRITICAL FOR INHIBITION OF SNX10-INDUCED VACUOLATION
Jinxin XU et al. Guangzhou Inst. of Biomedicine and Health, CAS, Guangzhou, and UST
China Hefei (ASCA130115)

AsCA'13 Program

Page 18

Monday 9 December
MS-11
Chair:

14.00-16.00

Magnetic and Conductive Materials
R. Murugavel, IIT Bombay, India

Lecture Theatre E

Co-Chair: Ryoji KIYANAGI J-Parc, JAEA, Japan

14.00 O11-1 CORRELATION BETWEEN STRUCTURE AND OBSERVED MAGNETIC PROPERTIES IN{4F}, {3D-4F} AND {RADICAL-4F} COMPLEXES
Saurabh K. Singh, T. Rajeshkumar and Rajaraman GOPALAN IIT Bombay, Mumbai, India(ASCA130232)

14.25 O11-2 THE COMPLEX MAGNETIC PHASE DIAGRAM OF THE QUANTUM SPIN CHAIN MATERIAL,
LINARITE, PBCUSO4(OH)2
Kirrily Clair RULE1, Britta Willenberg,2,3 Markus Schaepers,4 Manfred Reehuis,2 Anja
Wolter- Giraud,4 Bachir Ouladdiaf,5 Stefan Suellow 3 1ANSTO, Kirrawee, Australia,
2Helmholtz Centre, Berlin, 3 TU Braunschweig, 4 Leibniz Institute IFW Dresden, Germany,5
Inst. Laue Langevin, Grenoble, France (ASCA130087)

14.50 O11-3 HYDROGEN-RELATED PROPERTIES OF METAL AND ALLOY NANOPARTICLESMiho YAMAUCHI Kyushu Univ. and CREST, Tokyo Japan (ASCA130145)

15.10 O11-4 STRUCTURE & IONIC CONDUCTION MECHANISM OF LITHIUM SUPERIONICCONDUCTOR,LI10GEP2S12.
Masao YONEMURA1, Ohmin Kwon2, Masaaki Hirayama2, Ryoji Kanno2, Yuki Kato3,
Koji Kawamoto3, Shuki Torii1, Takashi Kamiyama1 1KEK, Ibaraki, 2Tokyo Institute ofTech., Yokohama, 3Toyota Motor Corp, Shizuoka, Japan (ASCA130188)

15.30 O11-5 SPIN CROSSOVER IN A SERIES OF MONONUCLEAR IRON(II) COMPLEXESWITH 4-HALO-N-(2'-PYRIDYLMETHYLENE)ANILINE
Kittipong CHAINOK1, Songwuit Chanthee1, Cindy Mauriac2, Philippe Guionneau2,
and Jean-François Létard2 1Naresuan Univ., Phitsanulok, Thailand 2Univ. Bordeaux,France (ASCA130262)

15.45 O11-6 STRUCTURAL AND SODIUM ION MOBILITY STUDIES IN NA2MNSIO4, A NOVEL CATHODE
MATERIAL FOR RECHARGEABLE SODIUM ION BATTERIES
Denissa MURPHY and Siegbert Schmid Univ. Sydney, NSW, Australia (ASCA130114)

AsCA'13 Program

Page 19

Monday 9 December
MS-12

14.00-16.00

X-ray Sources and Detectors

Chair: Sine LARSEN, U. Copenhagen

Lecture Theatre K

Co-Chair: Herman H-Y. SUNG, Hong Kong

14.00 O12-1 BEAM CONDITIONING IN CUTTING EDGE X-RAY ANALYTICAL EQUIPMENT
Jeorg WIESMANN,1 André Beerlink1, Jürgen Graf1, Andreas Kleine1, Bernd Hasse1,
Carsten Michaelsen1, Joachim Lange2, and Christoph Ollinger2 1Incoatec GmbH,
Geesthacht, 2Bruker AXS GmbH, Karlsruhe, Germany (ASCA130026)

14.15 O12-2 ADVANCES IN DATA QUALITY IN AREA DETECTOR DIFFRACTION EXPERIMENTS.
Mathias MEYER Agilent Technologies (Poland) Wrocław, Poland (ASCA130164)

14.30 O12-3 SHUTTERLESS CMOS DETECTOR DATA PROCESSING USING THE BRUKER
APEX2 AND PROTEUM2 SOFTWARE SUITESEric HOVESTREYDT1, Holger Ott1, Severine Freisz1, Joerg Kaercher2, Greg Wachter2,
Stephen Leo2 1Bruker AXS GmbH, Karlsruhe, Germany 2Bruker AXS Inc., Madison, WI
U.S.A. (ASCA130192)

14.45 O12-4 CURRENT STATUS OF THE LIQUID-METAL-JET X-RAY SOURCE TECHNOLOGY
Oscar HEMBERG Excillium AB, Kista, Sweden (ASCA130193)

15.00 O12-5 REVISITING S-SAD DATA COLLECTION IN THE HOME LAB: WHAT YOU CAN DO WITH
COPPER RADIATIONAngela CRISWELL, Mark Del Campo, Pierre Le Magueres, Jim Pflugrath, Joseph D. Ferrara
Rigaku Americas Corp., The Woodlands, TX, U.S.A. (ASCA130207)

15.15 O12-6 GETTING MORE OUT OF YOUR CRYSTALS: DOSE OPTIMIZED MX DATA COLLECTION WITH
FAST SINGLE PHOTON COUNTING DETECTORS
Clemens SCHULZE-BRIESE Dectris Ltd., Baden, Switzerland (ASCA130224)

15.30 O12-7 THE NEW DUAL MODE PIXEL ARRAY DETECTOR
Ronald C. HAMLIN1, Chris Nielsen1 and Andrew Arvai2
1
Area Detector Systems Corporation, Poway and 2The Scripps Research Institute,
La Jolla, CA, U.S.A. (ASCA130257)

AsCA'13 Program

Page 20

Tuesday 10 December
MS-13

10.50-12.50

Hot Structures in Biology

Lecture Theatre J

Chair: Fu GAO, Inst. Microbiol., CAS, Beijing, China

Co-Chair: Shigeyuki YOKOYAMA, Riken, Japan

10.50 O13-1 TITLE TO BE DETERMINED
Ruiming XU IBP, CAS, Beijing, China (ASCA130354)

11.15 O13-2 STRUCTURAL BASIS OF THE SPECIFIC RECOGNITION OF THE MAJOR EPITOPEFROM THE
JAPANESE CEDAR POLLEN ALLERGEN CRY J 1 BY HLA-DP5
Seisuke Kusano, Shigeyuki YOKOYAMA et al. Riken, Saitama, Japan (ASCA130092)

11.40 O13-3 FTSZ PROTOFILAMENTS USE A HINGE OPENING MECHANISM FOR CONSTRICTIVE FORCE
GENERATION
Sheng YE Zhejiang Univ., China (ASCA130275)

12.00 O13-4 STRUCTURAL INSIGHTS INTO A NOVEL BACTERIAL C-GMP BINDING DOMAIN REGULATINGITS FUSED DIGUANYLATE CYCLASE GGDEF DOMAIN ACTIVITY
Shan-Ho CHOU Natl. Chung Hsing Univ., Taichung, Taiwan (ASCA130117)

12.20 O13-5 PLANTS VS. PATHOGENS: STRUCTURAL AND FUNCTIONAL STUDY OF ARABIDOPSISRESISTANCE PROTEIN SNC1 TIR DOMAIN AND FLAX RUST EFFECTOR PROTEIN AVRP
Xiaoxiao ZHANG1, Simon Williams1, Thomas Ve1, Peter N. Dodds2, Jeffrey G. Ellis2 andBostjan Kobe1 1Univ. Queensland, Brisbane, 2CSIRO, Canberra, Australia (ASCA130083)

12.35 O13-6 A SELF-GENERATED INTRAMOLECULAR ESTER BOND BETWEEN THR-GLN IN A BACTERIALCELL SURFACE ADHESIN FROM CLOSTRIDIUM PERFRINGENS
Hannah KWON, Christopher J. Squire, Paul G. Young and Edward N. Baker
Univ. Auckland, New Zealand (ASCA130153)

AsCA'13 Program

Page 21

Tuesday 10 December
MS-14

10.50-12.50

Nano- and Energy Related Materials

Chair: Miho Yamauchi, Kyushu Univ., Japan

Lecture Theatre E

Co-Chair: Shin-ichi Adachi, KEK, Japan

10.50 O14-1 CREATION OF FUNCTIONAL MATERIALS ON THE BASIS OF ELEMENTAL STRATEGY
Hiroshi KITAGAWA Kyoto Univ., Japan (ASCA130155)

11.15 O14-2 C3 SYMMETRIC ORGANIC SYSTEMS FOR MATERIALS CHEMISTRY APPLICATIONS AND
PHOSPHATE NANOMATERIALS
R. MURUGAVEL, Pratap Bishnoi, Sandeep Kr. Gupta, and Aijaz Ahmed, IIT Bombay,
Mumbai, India (ASCA130142)

11.40 O14-3 VISUALIZATION OF THE IONIC CONDUCTION PATHWAY COUPLED BY
ELECTROSTATIC INTERACTIONS IN A LAYERED OXIDEKenichi KATO et al. 1RIKEN SPring-8 Center, Hyogo, 2CREST, Japan Science andTechnology Agency, Saitama, Japan. (ASCA130340)

12.05 O14-4 DEVELOPMENT OF IRON-GROUP NANOALLOY CATALYSTS FOR REALIZATION OF CARBON
NEUTRAL SOCIETY
Takeshi MATSUMOTO, Masaaki Sadakiyo, Minako Heima, Miho Yamauchi,
Tomokazu Yamamoto and Syo Matsumura Kyushu Univ., Fukuoka, Japan (ASCA130231)

12.30 O14-5 NOVEL HYBRID ORGANOPHOSPHATES AS CATHODE MATERIALS FOR LI ION BATTERIES
Shahul Hameed ABDULRAHMAN1, Mangayarkarasi Nagarathinam1, Martin Karl
Schreyer2, M. V. Reddy3, B. V. R. Chowdari3, Jagadese J. Vittal1 National University ofSingapore 2Inst. Chemical & Eng. Sciences, Singapore (ASCA130047)

AsCA'13 Program

Page 22

Tuesday 10 December
MS-15

10.50-12.50

X-ray Free Electron Laser (XFEL)

Chair: Yoshinori NISHINO, Hokkaido Univ., Japan

Lecture Theatre K

Co-Chair: Hyunjung KIM, Sogang Univ., Korea

10.50 O15-1 LONG-RANGE FEMTOSECOND ELECTRONIC CORRELATIONS IN X-RAY LASERNANOCRYSTALLOGRAPHY
Andrew V. MARTIN1, Ruben A. Dilanian1, Sophie Williams1, Hannah D. Coughlan2,
Garth J. Wiliams3, Keith A. Nugent2, Brian Abbey2, and Harry M. Quiney1 1Univ.
Melbourne, 2La Trobe University, Bundoora Australia 3LiNAC Coherent Light Source, SLAC
National Accelerator Laboratory Menlo Park, CA, U.S.A. (ASCA130066)

11.15 O15-2 DEVELOPMENT OF BIOLOGICAL STRUCTURE-ANALYSIS SYSTEM AT SACLA
Yasumasa JOTI SPring8, Hyogo, Japan (ASCA130088)

11.40 O15-3 SINGLE-PARTICLE IMAGING WITH X-RAY FREE-ELECTRON LASERS.
N. Duane LOH1,2 1National University of Singapore,2PULSE Institute, SLAC National
Laboratory, Menlo Park, CA, U.S.A. (ASCA130123)

12.05 O15-4 COHERENT DIFFRACTION IMAGING FOR SPHERICAL BIOLOGICAL PARTICLESAtsushi NAKAGAWA1, Akifumi Higashiura1, Kenji Iwasaki1, Marina Murakami1, Eiki
Yamashita1, Kazuki Takeda2, Yu Hirano2, Yuya Hanazono2, Kiyofumi Takaba2, Masahito
Hibi2, Yuriko Tomisaki2, Kunio Miki2 1Osaka Univ., 2Kyoto Univ., Japan (ASCA130097)

12.30 O15-5 CORE-SHELL STRAIN STRUCTURE OF ZSM-5 ZEOLITES BY COHERENT X-RAY DIFFRACTIONIMAGING
Wonsuk CHA et al. Sogang Univ., Korea (ASCA130121)

AsCA'13 Program

Page 23

Tuesday 10 December
MS-16

14.00-16.00

Enzymes and Enzyme Inhibitors

Chair: Xuhui HUANG, HKUST, Hong Kong

Lecture Theatre J

Co-Chair: Andrea Thorn, MRC,U.K.

14.00 O16-1 STRUCTURAL INSIGHTS INTO TRANSCRIPTION MECHANISM OF ANTIBIOTIC REGULATIONBY A TETR-FAMILY PROTEIN FROM STREPTOMYCES COELICOLOR
Hussain Bhukya and Ruchi ANAND IIT Bombay, Mumbai, India (ASCA130149)

14.25 O16-2 EXPERIMENTAL DEMONSTRATION OF PRODUCT (PYROPHOSPHATE) RELEASE PROVIDEDBY STRUCTURAL SNAPSHOTS OF THE URIDYLTRANSFER REACTION CATALYZED BY GLMU
Balaji PRAKASH, Pravin K.A. Jagtap, Neha Vithani, Sunil Kumar Verma, Vaibhav Biasand Nisanth Nair Indian Institute of Technology, Kanpur, India. (ASCA130284)

14.50 O16-3 CRYSTAL STRUCTURE OF A BOMBYX MORI OMEGA-CLASS GLUTATHIONE TRANSFERASE
Kohji YAMAMOTO1, Mamoru Suzuki2, Akifumi Higashiura2 and Atsushi Nakagawa2
1
Kyushu Univ., Fukuoka and 2Osaka Univ., Suita Japan (ASCA130004)

15.15 O16-4 STRUCTURAL AND FUNCTIONAL STUDIES ON THE REGULATION MECHANISM OF
PROTEIN KINASE CK2 BY IP6 AND NOPP140
Won-Kyu Lee, Yeon Gyu Yu and Hyung Ho LEE Kookmin Univ., Seoul, Korea(ASCA130204)

15.30 O16-5 IDENTIFICATION OF FUNCTION AND MECHANISTIC INSIGHTS OF GUANINE DEAMINASE
Aruna BITRA and Ruchi Anand IIT Bombay, Mumbai, India (ASCA130031)

15.45 O16-6 CRYSTAL STRUCTURE OF THE CENTRAL AXIS DF COMPLEX OF ENTEROCOCCUSHIRAE V-ATPASE
K.M. Mozaffor HOSSAIN Univ. Rajshahi, Bangladesh (ASCA130024)

AsCA'13 Program

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Tuesday 10 December
MS-17

Crystal Growth and Engineering

Chair: Xian-He BU, Nankai Univ., China

14.00

14.00-16.00
Lecture Theatre E

Co-Chair: Zhengtao XU, City Univ., Hong Kong

O17-1 ENGINEERING ORGANIC CRYSTALS USING ARENE-PERFLUOROARENE INTERACTIONS
Todd B. MARDER Univ. Würzburg, Germany (ASCA130179)

14.25 O17-2 SUPRAMOLECULAR AGGREGATION PATTERNS SUSTAINED BY METAL(LONE
PAIR)…PI(ARENE) INTERACTIONS
Edward R.T. TIEKINK Univ. Malaya, Malaysia (ASCA130202)

14.45 O17-3 SULFUR IN THE PORE: TAILORING COORDINATION NETWORKS FOR METAL UPTAKE, SENSING& OTHER APPLICATIONS
Zhengtao XU, Jun He, Ka-Kit Yee, Jie Liu City Univ., Hong Kong (ASCA130310)

15.00 O17-4 EPITAXIAL AND TOPOTAXIAL GROWTH OF RARE EARTH AND OPTOELECTRONIC
NANOMATERIALS
Xianfeng Yang, Fenghua Zhao, Jianle Zhuang, Junxiang Fu, Sha Ding, Qiang Zhou,
Mingmei WU Sun Yat-Sen Univ., Guangzhou, China (ASCA130348)

15.30 O17-5 TUNING THE LUMINESCENT SENSING PROPERTIES OF POROUS COORDINATION POLYMERS
Xiao-Lin QI, Rui-Biao Lin, Si-Yang Liu, Jie-Peng Zhang and Xiao-Ming Chen Sun Yat-Sen
Univ., Guangzhou, China (ASCA130168)

15.45 O17-6 ON THE DESIGN AND STRUCTURAL INTER-RELATIONSHIPS OF EUTECTICS AND COCRYSTALS
Surya CHERUKUVADA and Tayur N. Guru Row IIS Bangalore, India (ASCA130178)

AsCA'13 Program

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Tuesday 10 December
MS-18

14.00-16.00

Diffraction and Complementary Methods

Lecture Theatre K

Chair: Alison EDWARDS, ANSTO, Australia

14.00 O18-1 SMALL ANGLE SCATTERING ON THE SUPRAMOLECULAR STRUCTURE
DENDRIMER-SURFACTANT COMPLEX IN AQUEOUS SOLUTION
Tianfu LI, Yuntao Liu, Dongfeng Chen, Yu Wang, Hongli Wang, Li Zhang, CIAE, Beijing,
China (ASCA130102)

14.25 O18-2 STRUCTURAL CHARACTERIZATION OF ANISOTROPICALLY STRAINED SNGE THINFILMS
USING XRD AND EXAFS
Yun-Liang SOO1,2, Tai-Sing Wu1, Yi-Wei Tsai1, Shih-Lin Chang1,2 and Hung-Hsiang Cheng3
1Natl. Tsing Hua Univ., 2NSRRC, Hsinchu, Taiwan 3National Taiwan Univ., Taipei, Taiwan(ASCA130157)

14.50 O18-3 STRUCTURE SOLUTION OF INORGANIC POROUS MATERIALS FROM SINGLE-CRYSTALXRD, POWDER XRD AND 3D ELECTRON DIFFRACTION
Leifeng LIU1, Yifeng Yun1, Xiaodong Zou1, Jihong Yu3 and Junliang Sun1,2
1
Stockholm Univ., Sweden, 2Peking University, Beijing, 3Jilin Univ., Changchun, China(ASCA130162)

15.10 O18-4 ROLE OF SURFACE AND INTERFACE INTERACTIONS ON THE MOLECULAR STRUCTURE OF
BIODEGRADABLE POLY(LACTIDE) STEREOCOMPLEX ULTRATHIN FILMS VIEWED FROM
GIXD AND IR-RAS MEASUREMENTS
R.R. KUMMETHA, Takahashi Isao, Yukihiro Ozaki Kwansei Gakuin Univ., Sanda, Japan(ASCA130170)

15.25 O18-5 METAL COORDINATION POLYMERS OR METAL-ORGANIC FRAMEWORKS FOR
ELECTROCHEMICAL APPLICATIONS
Chia-Her LIN Chung Yuan Chr. Univ., Chungli, Taiwan (ASCA130128)

15.45 O18-6 DYNAMIC ASPECTS ON MOLECULAR CRYSTAL SURFACES
Ernest H.H. CHOW, William Jones Univ. Cambridge, U.K. (ASCA130163)

AsCA'13 Program

Page 26

Tuesday 10 December
MS-19

16.20-17.10

General Interest Session I (Biol)

Lecture Theatre A

16.20 O19-1 ELECTRON DENSITY CONTRIBUTIONS TO THE BATTLE AGAINST SARS AND OTHERACTUAL DISEASESPeter LUGER Free University Berlin, Germany (ASCA130283)

16.45 O19-2 OVERVIEW OF THE CCP4 SUITE AND CURRENT DEVELOPMENTS
Charles BALLARD, Ronan Keegan, Andrey Lebedev, Marcin Wojdyr, Ville Uski, David
Waterman and Eugene Krissinel CCP4, STFC, Harwell,Oxford, U.K. (ASCA130136)

Tuesday 10 December
MS-20

16.20-17.10

General Interest Session II (Chem)

Lecture Theatre E

16.20 O20-1 NEW FORMS OF DRUGS – FROM MECHANOCHEMISTRY TO HIGH PRESSURE
Elena BOLDYREVA, Novosibirsk State University, Russia (ASCA130344)

16.45 O20-2 DRUG DISCOVERY AND DEVELOPMENT BY DESIGN: USING THE KNOWLEDGE FROMEVERY ORGANIC CRYSTAL STRUCTURE EVER PUBLISHEDColin GROOM, Neil Feeder, Elna Pidcock, Peter A. Wood, Peter T.A. Galek andSuzanna Ward CCDC, Cambridge, U.K. (ASCA130160)

Poster Sessions
All abstracts not accepted for Oral presentation are invited for presentation as Posters. Please note theposter board panel size is A0 (90cm wide x 122cm high). It is suggested that posters be printed with somemargin for these dimensions (for example 30 x 40 inches). All posters may be displayed from Sunday
morning through Monday evening. Presentations will be made during the times indicated. A full list of
poster titles, authors and numbers will be posted soon.
Poster Session 1 (odd numbers)

Sunday 8 December

16.15-18.00

Poster Session 2 (even numbers)

Monday 9 December

16.15-18.00

AsCA'13 Program

Page 27

AsCA'13

Hong Kong
Main Sponsors
Rigaku Corporation
Bruker AXS GmbH
Agilent Technologies (China)
International Union of Crystallography

AsCA'13 Program

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