Caspase-3-Dependent Apoptosis of Citreamicin ε-Induced HeLa Cells Is Associated with Reactive Oxygen Species Generation
Liu, Ling-Li; He, Li-Sheng; Xu, Ying; Han, Zhuang; Li, Yong-Xin; Zhong, Jia-Liang; Guo, Xian-Rong; Zhang, Xi-Xiang; Ko, Kam Ming; Qian, Pei-Yuan; Chemical Research in Toxicology 26 (2013) 1055–; doi:10.1021/tx4000304

data_1512241
_publ_section_title
;
 Caspase-3-Dependent Apoptosis of Citreamicin \e-Induced HeLa Cells Is
 Associated with Reactive Oxygen Species Generation
;
_journal_issue                   7
_journal_name_full               'Chemical Research in Toxicology'
_journal_page_first              1055
_journal_paper_doi               10.1021/tx4000304
_journal_volume                  26
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C30 H25 N O11'
_chemical_formula_sum            'C30 H25 N O11'
_chemical_formula_weight         575.51
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1965(16)
_cell_length_b                   14.197(3)
_cell_length_c                   21.934(4)
_cell_measurement_reflns_used    4395
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      67.65
_cell_measurement_theta_min      3.71
_cell_volume                     2552.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0512
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9393
_diffrn_reflns_theta_full        67.65
_diffrn_reflns_theta_max         67.65
_diffrn_reflns_theta_min         3.71
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  0.9528
_exptl_absorpt_correction_T_min  0.9087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.148
_refine_diff_density_min         -0.135
_refine_diff_density_rms         0.033
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.3(3)
_refine_ls_extinction_coef       0.00056(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0620P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1308
_reflns_number_gt                2882
_reflns_number_total             4395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            tx4000304_si_002.cif
_cod_data_source_block           306
_cod_database_code               1512241