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 | SYNCHROTRON The general class of the radiation source. |
Source details _diffrn_source.type | ESRF BEAMLINE ID30B The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID30B 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 | 2022-05-04 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97625 Comma separated list of wavelengths or wavelength range. |
Software | |
Data processing _software.classification | autoPROC (1.1.7) The classification of the program according to its |
Data reduction _software.classification | XDS (Jan 10, 2022 (BUILT 20220110)) The classification of the program according to its |
Data scaling #1 _software.classification | Aimless (0.7.7) The classification of the program according to its |
Data scaling #2 _software.classification | pointless (1.12.12) The classification of the program according to its |
Data scaling #3 _software.classification | STARANISO (2.3.79 (20211010)) The classification of the program according to its |
Phasing _software.classification | PHASER (2.1.2) The classification of the program according to its |
Refinement _software.classification | PHENIX (1.20.1_4487) 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} | 53.925 Unit-cell length a corresponding to the structure reported in 288.478 Unit-cell length b corresponding to the structure reported in 57.643 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 90.12 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 | 0.97625 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 144.239 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 2.468 The smallest value in angstroms for the interplanar spacings |
Rmerge | - |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 45039 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 3.60 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 98.9 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 3.3 Overall redundancy for this data set. |
CC(1/2) _reflns.pdbx_CC_half | 0.964 The Pearson's correlation coefficient expressed as a decimal value |
Refinement | |
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PDB entry ID _entry.id | 8C3O |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-12-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 57.6 - 2.470 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2139 / 0.2711 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4ZG6 |