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 | DIAMOND BEAMLINE I24 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 | I24 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 | 2022-07-12 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS EIGER2 X CdTe 9M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9999 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | DIALS (3.11) The classification of the program according to its |
Phasing _software.classification | PHASER (2.8.3) The classification of the program according to its |
Model building _software.classification | Coot (0.8.9.2) The classification of the program according to its |
Refinement _software.classification | REFMAC (5.8.0258) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 149.101 Unit-cell length a corresponding to the structure reported in 149.101 Unit-cell length b corresponding to the structure reported in 64.066 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 | 0.99990 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 129.125 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 1.979 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.123 The R value for merging intensities satisfying the observed |
Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.039 The precision-indicating merging R factor value Rpim, |
Total number of observations | - |
Total number unique _reflns.number_obs | 57199 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.70 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 100.0 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 20.7 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 | 8S1R |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-02-15 |