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 | APS BEAMLINE 21-ID-D The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-D 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 | 2023-03-11 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0332 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | XDS The classification of the program according to its |
Data scaling _software.classification | Aimless The classification of the program according to its |
Phasing _software.classification | PHASER The classification of the program according to its |
Refinement _software.classification | REFMAC (5.8.0425) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 1 2 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 186.581 Unit-cell length a corresponding to the structure reported in 57.221 Unit-cell length b corresponding to the structure reported in 224.962 Unit-cell length c corresponding to the structure reported in 90.000 Unit-cell angle alpha of the reported structure in degrees. 106.584 Unit-cell angle beta of the reported structure in degrees. 90.000 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03320 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 162.270 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 2.950 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.141 The R value for merging intensities satisfying the observed |
Rmeas _reflns.pdbx_Rrim_I_all | 0.199 The redundancy-independent merging R factor value Rrim, |
Rpim _reflns.pdbx_Rpim_I_all | 0.141 The precision-indicating merging R factor value Rpim, |
Total number of observations | - |
Total number unique _reflns.number_obs | 43707 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 3.50 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 89.9 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 2.7 Overall redundancy for this data set. |
CC(1/2) _reflns.pdbx_CC_half | 0.950 The Pearson's correlation coefficient expressed as a decimal value |
Refinement | |
---|---|
PDB entry ID _entry.id | 8TDH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-07-03 |