Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH SINGLE WAVELENGTH, LAUE, or MAD. |
Source type _diffrn_source.source | ROTATING ANODE The general class of the radiation source. |
Source details _diffrn_source.type | RIGAKU MICROMAX-007 HF The make, model or name of the source of radiation. |
Temperature [K] _diffrn.ambient_temp | 100 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | IMAGE PLATE The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 2018-11-28 The date of data collection. |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | MOSFLM (7.2.2) The classification of the program according to its |
Data scaling _software.classification | SCALA (3.3.22) The classification of the program according to its |
Phasing #1 _software.classification | MOLREP (11.6.04) The classification of the program according to its |
Phasing #2 _software.classification | DM (7.0.066) The classification of the program according to its |
Refinement _software.classification | PHENIX (1.15.1-3469) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 2 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 70.940 Unit-cell length a corresponding to the structure reported in 70.940 Unit-cell length b corresponding to the structure reported in 203.401 Unit-cell length c corresponding to the structure reported in 90.0 Unit-cell angle alpha of the reported structure in degrees. 90.0 Unit-cell angle beta of the reported structure in degrees. 120.0 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | InnerShell | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 61.436 The largest value in angstroms for the interplanar spacings | 19.604 The highest value in angstroms for the interplanar spacings | 1.840 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.750 The smallest value in angstroms for the interplanar spacings | 5.530 The smallest value in angstroms for the interplanar spacings | 1.750 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs | 0.078 The R sym value as a decimal number. | 0.035 The value of Rmerge(I) for reflections classified as 'observed' | 0.487 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.083 The redundancy-independent merging R factor value Rrim, | 0.039 The redundancy-independent merging R factor value Rrim, | 0.525 The redundancy-independent merging R factor value Rrim, |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.023 The precision-indicating merging R factor value Rpim, | 0.011 The precision-indicating merging R factor value Rpim, | 0.144 The precision-indicating merging R factor value Rpim, |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 404229 Total number of measured reflections. | 12936 The total number of reflections measured for this | 56857 The total number of reflections measured for this |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 31527 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 1125 The total number of measured reflections classified as 'observed' | 4472 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 18.20 The mean of the ratio of the intensities to their | 14.20 The ratio of the mean of the intensities of the reflections | 1.60 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.9 The percentage of geometrically possible reflections represented | 97.5 The percentage of geometrically possible reflections represented | 99.8 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 12.8 Overall redundancy for this data set. | 11.5 Redundancy for the current shell. | 12.7 Redundancy for the current shell. |
CC(1/2) | - | - | - |
Refinement | |
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PDB entry ID _entry.id | 6OSO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-05-01 |