Experiment | |
---|---|
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 | SYNCHROTRON The general class of the radiation source. |
Source details _diffrn_source.type | DIAMOND BEAMLINE I03 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I03 Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 100 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | PIXEL The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 2020-07-02 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS EIGER2 XE 16M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9763 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | XDS (Wolfgang Kabsch; Wolfgang.Kabsch@mpimf-heidelberg.mpg.de) The classification of the program according to its |
Data scaling _software.classification | xia2 (Graeme Winter) The classification of the program according to its |
Phasing _software.classification | PHASER (2.8.3; Thu Apr 11 23:19:42 2019 (svn 8432) (git 7454, 42cd19d5d... ); Randy J. Read; cimr-phaser@lists.cam.ac.uk) The classification of the program according to its |
Refinement _software.classification | PHENIX (1.15.2_3472) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 76.87 Unit-cell length a corresponding to the structure reported in 93.00 Unit-cell length b corresponding to the structure reported in 61.40 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. 90.0 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97630 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | InnerShell | OuterShell |
---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 46.500 The largest value in angstroms for the interplanar spacings | 46.500 The highest value in angstroms for the interplanar spacings | 2.000 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.950 The smallest value in angstroms for the interplanar spacings | 8.720 The smallest value in angstroms for the interplanar spacings | 1.950 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.066 The R value for merging intensities satisfying the observed | 0.025 The value of Rmerge(I) for reflections classified as 'observed' | 0.552 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas | - | - | - |
Rpim | - | - | - |
Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 31561 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 427 The total number of measured reflections classified as 'observed' | 2343 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 24.20 The mean of the ratio of the intensities to their | 63.70 The ratio of the mean of the intensities of the reflections | 4.10 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 96.3 The percentage of geometrically possible reflections represented | 98.4 The percentage of geometrically possible reflections represented | 98.2 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 12.6 Overall redundancy for this data set. | 11.5 Redundancy for the current shell. | 12.3 Redundancy for the current shell. |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.998 The Pearson's correlation coefficient expressed as a decimal value | 0.998 The Pearson's correlation coefficient expressed as a decimal value | 0.927 The Pearson's correlation coefficient expressed as a decimal value |
Refinement | |
---|---|
PDB entry ID _entry.id | 8A1O |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-06-01 |