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 | ROTATING ANODE The general class of the radiation source. |
Source details _diffrn_source.type | RIGAKU FR-X The make, model or name of the source of radiation. |
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 | 2019-11-08 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS EIGER R 1M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54178 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 | BUSTER The classification of the program according to its |
Refinement _software.classification | REFMAC (5.8.0232) 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} | 40.294 Unit-cell length a corresponding to the structure reported in 145.584 Unit-cell length b corresponding to the structure reported in 66.833 Unit-cell length c corresponding to the structure reported in 90.0 Unit-cell angle alpha of the reported structure in degrees. 95.7 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 | 1.54178 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 | 35.950 The largest value in angstroms for the interplanar spacings | 3.028 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.780 The smallest value in angstroms for the interplanar spacings | 2.780 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.300 The redundancy-independent merging R factor value Rrim, | 0.632 The redundancy-independent merging R factor value Rrim, |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 12346 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 618 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 3.54 The mean of the ratio of the intensities to their | 1.30 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs | 84.7 The percentage of geometrically possible reflections represented | - |
Multiplicity _reflns.pdbx_redundancy | 3.2 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 8R9S |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-11-30 |