DOI: 10.5281/zenodo.13835773
title: Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12), MOF SU-100 (16), protein MutT homolog 1 (38) and Lysozyme (71)

description: The Automated real-time and offline batch 3D ED/microED data processing graphic user interface (AutoLEI) is designed to automatically process and merge batches of rotation electron diffraction datasets using XDS[1]. This GUI aims to streamline data processing and minimize the need for manual data processing.

The four datasets below are examples used in the Automated EffortLess MicroED Graphic User Interface (AutoLEI) paper.

Paper doi: https://doi.org/10.1107/S2052252525010784

GUI available: https://zenodo.org/records/15206752 

 

A. Data information

Dataset 1: Tyrosine (Small molecule), 12 datasets in total

Dataset 2: SU-100 (Small molecule), 16 datasets in total

Dataset 3: MutT homolog 1 (Macro molecule), 38 datasets in total

Dataset 4: Lysozyme (Macro molecule), 71 datasets in total

 

B. Data collection 

Tyrosine data was collected with an ASI Timepix hybrid detector installed on a JEOL JEM-2100 (200 kV) microscope equipped with a LaB6 filament. A Gatan 914 cryo-holder is employed to collect data at cryo temperature.

Data collection software: Instamatic.

Electron Microscopy Center, the Department of Materials and Environmental Chemistry, Stockholm University.




Data
#Frame
Step (°)
Start (°)
End (°)
Rotation axis.(°)
WL (Å)
Camera_l (mm)
Size1
Size2
Pixel Size (1/nm)




data1
415
0.233
-50.82
45.44
129.2
0.0251
439.48
516
516
49.860


data2
475
0.233
-57.19
53.07
129.4
0.0251
439.48
516
516
49.860


data3
139
0.232
-51.23
-19.17
128.6
0.0251
439.48
516
516
49.860


data4
421
0.233
-50.67
47.01
128.9
0.0251
439.48
516
516
49.860


data5
448
0.233
-54.51
49.43
130.1
0.0251
439.48
516
516
49.860


data6
330
0.233
-54.97
21.54
129.1
0.0251
439.48
516
516
49.860


data7
41
0.232
-57.39
-48.12
128.3
0.0251
439.48
516
516
49.860


data8
459
0.233
-53.60
53.03
128.7
0.0251
439.48
516
516
49.860


data9
430
0.233
-38.49
61.25
129.7
0.0251
439.48
516
516
49.860


data10
509
0.233
-56.38
61.91
128.6
0.0251
439.48
516
516
49.860


data11
353
0.223
-61.69
16.79
130.2
0.0251
439.48
516
516
49.860


data12
514
0.233
-52.99
66.36
129.2
0.0251
439.48
516
516
49.860




 

SU-100 data was collected with an ASI Timepix hybrid detector installed on a JEOL JEM-2100 (200 kV) microscope equipped with a LaB6 filament. A Gatan 914 cryo-holder is employed to collect data at cryo temperature.

Data collection software: Instamatic.

Electron Microscopy Center, the Department of Materials and Environmental Chemistry, Stockholm University.




Data
#Frame
Step (°)
Start (°)
End (°)
Rotation axis.(°)
WL (Å)
Camera_l (mm)
Size1
Size2
Pixel Size (1/nm)




data1
248
0.233
-16.82
40.64
131.2
0.0251
439.48
516
516
49.860


data2
486
0.233
-55.22
57.62
129.4
0.0251
439.48
516
516
49.860


data3
472
0.232
-51.78
57.67
129.3
0.0251
439.48
516
516
49.860


data4
399
0.232
-56.68
35.79
129.8
0.0251
439.48
516
516
49.860


data5
319
0.233
-15.51
58.42
126.1
0.0251
439.48
516
516
49.860


data6
302
0.233
-50.47
19.52
128.6
0.0251
439.48
516
516
49.860


data7
87
0.233
-50.01
-29.93
130.2
0.0251
439.48
516
516
49.860


data8
349
0.232
-57.04
23.81
130.5
0.0251
439.48
516
516
49.860


data9
475
0.233
-48.75
61.56
128.8
0.0251
439.48
516
516
49.860


data10
422
0.233
-48.35
49.53
128.2
0.0251
439.48
516
516
49.860


data11
415
0.233
-57.64
38.62
129.0
0.0251
439.48
516
516
49.860


data12
351
0.232
-54.26
26.95
128.2
0.0251
439.48
516
516
49.860


data13
466
0.233
-53.95
54.18
130.2
0.0251
439.48
516
516
49.860


data14
450
0.233
-51.83
52.56
129.0
0.0251
439.48
516
516
49.860


data15
443
0.233
-49.31
53.57
129.0
0.0251
439.48
516
516
49.860


data16
374
0.233
-39.30
47.46
129.3
0.0251
439.48
516
516
49.860




 

MutT homolog 1 data was collected with a CMOS CetaD detector installed on a Titan Krios G3i with an autoloader. 

Data collection software: EPUD

Cryo-EM infrastructure unit, Scilifelab, Stockholm.




Rotation axis.(°)
WL (Å)
Camera_l (mm)
Size1
Size2
Pixel Size (1/nm)




-6.0
0.019687
2487.83
2048
2048
5.717




 

Lysozyme data was collected with a CMOS CetaD detector installed on a Titan Krios G2 with an autoloader. 

Data collection software: EPUD

Cryo-EM infrastructure unit, Scilifelab, Stockholm.




Rotation axis.(°)
WL (Å)
Camera_l (mm)
Size1
Size2
Pixel Size (1/nm)


-174.4
0.01968
1155.0
2048
2048
12.318




C. Reference

[1] Kabsch. W. “XDS”, ACTA CRYSTALLOGRAPHICA SECTION D, 2010