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 | MAX IV BEAMLINE BioMAX The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | MAX IV Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BioMAX 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 | 2019-03-23 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.954 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 (0.7.4; 13/12/18; Phil Evans) The classification of the program according to its |
Phasing _software.classification | PHASER (2.8.3; Thu May 2 19:17:37 2019 (svn 8432) (git 7454, 42cd19d... ); Randy J. Read; cimr-phaser@lists.cam.ac.uk) The classification of the program according to its |
Refinement _software.classification | PHENIX (1.19.1; Paul D. Adams; PDAdams@lbl.gov) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 67.96 Unit-cell length a corresponding to the structure reported in 67.96 Unit-cell length b corresponding to the structure reported in 102.94 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 | 0.95400 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | InnerShell | OuterShell |
---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 51.470 The largest value in angstroms for the interplanar spacings | 51.470 The highest value in angstroms for the interplanar spacings | 1.250 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.230 The smallest value in angstroms for the interplanar spacings | 6.750 The smallest value in angstroms for the interplanar spacings | 1.230 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - | - |
Rmeas | - | - | - |
Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 53589 Total number of measured reflections. | 525 The total number of reflections measured for this | 530 The total number of reflections measured for this |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 53589 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 525 The total number of measured reflections classified as 'observed' | 530 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 12.50 The mean of the ratio of the intensities to their | 24.10 The mean of the ratio of the intensities to their | 1.30 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 76.6 The percentage of geometrically possible reflections represented | 99.5 The percentage of geometrically possible reflections represented | 15.9 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 1.0 Overall redundancy for this data set. | 1.0 Redundancy for the current shell. | 1.0 Redundancy for the current shell. |
CC(1/2) | - | - | - |
Refinement | |
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PDB entry ID _entry.id | 5RPC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-09-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.0 - 1.230 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1773 / 0.1877 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |