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 | SSRF BEAMLINE BL02U1 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL02U1 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 | 2022-01-16 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 | 0.979183 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | HKL-2000 The classification of the program according to its |
Data scaling _software.classification | HKL-2000 The classification of the program according to its |
Phasing _software.classification | PHASER The classification of the program according to its |
Model building #1 _software.classification | PHENIX (dev_4778) The classification of the program according to its |
Model building #2 _software.classification | Coot The classification of the program according to its |
Refinement _software.classification | PHENIX (dev_4778) 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} | 78.416 Unit-cell length a corresponding to the structure reported in 99.175 Unit-cell length b corresponding to the structure reported in 79.998 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 109.25 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 | 0.97918 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 The largest value in angstroms for the interplanar spacings | 2.820 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.770 The smallest value in angstroms for the interplanar spacings | 2.770 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.649 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.913 The redundancy-independent merging R factor value Rrim, |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.371 The precision-indicating merging R factor value Rpim, |
Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 28197 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 1224 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 16.47 The mean of the ratio of the intensities to their | 1.74 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 94.6 The percentage of geometrically possible reflections represented | 91.6 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.3 Overall redundancy for this data set. | 2.7 Redundancy for the current shell. |
CC(1/2) _reflns.pdbx_CC_half | 1.000 The Pearson's correlation coefficient expressed as a decimal value | - |
Refinement | |
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PDB entry ID _entry.id | 8HOV |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-12-11 |