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 ID23-1 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 | ID23-1 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 | 2018-07-28 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 | 0.976254 Comma separated list of wavelengths or wavelength range. |
Software | |
Data collection _software.classification | autoPROC The classification of the program according to its |
Data reduction _software.classification | XDS (Jan 26, 2018 (BUILT 20180126)) The classification of the program according to its |
Data scaling #1 _software.classification | Aimless (0.7.1) The classification of the program according to its |
Data scaling #2 _software.classification | pointless (1.11.12) The classification of the program according to its |
Data scaling #3 _software.classification | STARANISO (1.10.15) The classification of the program according to its |
Phasing _software.classification | MOLREP The classification of the program according to its |
Model building _software.classification | Coot The classification of the program according to its |
Refinement _software.classification | REFMAC (5.8.0155) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 63.073 Unit-cell length a corresponding to the structure reported in 132.622 Unit-cell length b corresponding to the structure reported in 161.052 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 | 0.97625 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 102.378 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 1.977 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.071 The R value for merging intensities satisfying the observed |
Rmeas _reflns.pdbx_Rrim_I_all | 0.078 The redundancy-independent merging R factor value Rrim, |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 94907 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.28 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 99.7 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 5.5 Overall redundancy for this data set. |
CC(1/2) _reflns.pdbx_CC_half | 0.999 The Pearson's correlation coefficient expressed as a decimal value |
Refinement | |
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PDB entry ID _entry.id | 6RB5 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-04-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 102.4 - 1.977 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1831 / 0.2066 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2WBA |