| 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  | SLS BEAMLINE X06DA The make, model or name of the source of radiation.  | 
Synchrotron site _diffrn_source.pdbx_synchrotron_site  | SLS Synchrotron site.  | 
Beamline _diffrn_source.pdbx_synchrotron_beamline  | X06DA 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  | 2019-05-12 The date of data collection.  | 
Detector _diffrn_detector.type  | DECTRIS PILATUS 2M-F The make, model or name of the detector device used.  | 
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list  | 1.0 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  | Aimless (Phil Evans) The classification of the program according to its  | 
Phasing _software.classification  | PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk) The classification of the program according to its  | 
Refinement _software.classification  | PHENIX (1.14_3260; Paul D. Adams; PDAdams@lbl.gov) The classification of the program according to its  | 
| General information | |
Spacegroup name _symmetry.space_group_name_H-M  | P 1 21 1 Hermann-Mauguin space-group symbol. Note that the  | 
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 51.284 Unit-cell length a corresponding to the structure reported in 87.549 Unit-cell length b corresponding to the structure reported in 102.693  Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 93.46 Unit-cell angle beta of the reported structure in degrees. 90.00 Unit-cell angle gamma of the reported structure in degrees.  | 
Wavelength _diffrn_radiation_wavelength.wavelength  | 1.00000  ÅThe radiation wavelength in angstroms.  | 
| Data quality metrics | Overall | OuterShell | 
|---|---|---|
     Low resolution limit [Å]       _reflns.d_resolution_low _reflns_shell.d_res_low  |        46.944 The largest value in angstroms for the interplanar spacings  |         2.110 The highest value in angstroms for the interplanar spacings  | 
     High resolution limit [Å]      _reflns.d_resolution_high _reflns_shell.d_res_high  |         2.050 The smallest value in angstroms for the interplanar spacings  |         2.050 The smallest value in angstroms for the interplanar spacings  | 
| Rmerge | - | - | 
| Rmeas | - | - | 
| Rpim | - | - | 
| Total number of observations | - | - | 
     Total number unique                  _reflns.number_obs _reflns_shell.number_unique_obs  |         56440 The number of reflections in the REFLN list (not the DIFFRN_REFLN  |          4304 The total number of measured reflections classified as 'observed'  | 
     <I/σ(I)>                 _reflns.pdbx_netI_over_sigmaI  |          9.80 The mean of the ratio of the intensities to their  | - | 
     Completeness [%]                     _reflns.percent_possible_obs  |          99.5 The percentage of geometrically possible reflections represented  | - | 
     Multiplicity                         _reflns.pdbx_redundancy  |           6.9 Overall redundancy for this data set.  | - | 
     CC(1/2)                              _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half  |         0.997 The Pearson's correlation coefficient expressed as a decimal value  |         0.591 The Pearson's correlation coefficient expressed as a decimal value  | 
| Refinement | |
|---|---|
PDB entry ID _entry.id  | 7QXR | 
Deposition date _pdbx_database_status.recvd_initial_deposition_date  | 2022-01-27 | 
Resolution _refine.ls_d_res_low _refine.ls_d_res_high  | 46.9 - 2.052 Å | 
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free  | 0.1924 / 0.2470 | 
Structure solution method _refine.pdbx_method_to_determine_struct  | MOLECULAR REPLACEMENT | 
Starting model (for MR) _refine.pdbx_starting_model  | 6S97 |