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 23-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 | 23-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 | 2014-11-15 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.2828 Comma separated list of wavelengths or wavelength range. |
Software | |
Data processing _software.classification | XDS The classification of the program according to its |
Data reduction _software.classification | XDS The classification of the program according to its |
Data scaling _software.classification | xia2 The classification of the program according to its |
Phasing _software.classification | AutoSol The classification of the program according to its |
Model building _software.classification | Coot The classification of the program according to its |
Refinement _software.classification | PHENIX (1.18.2) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 53.02 Unit-cell length a corresponding to the structure reported in 94.27 Unit-cell length b corresponding to the structure reported in 108.16 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 | 1.28280 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | InnerShell | OuterShell |
---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 29.520 The largest value in angstroms for the interplanar spacings | 29.520 The highest value in angstroms for the interplanar spacings | 2.540 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.450 The smallest value in angstroms for the interplanar spacings | 5.270 The smallest value in angstroms for the interplanar spacings | 2.450 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.119 The redundancy-independent merging R factor value Rrim, | 0.057 The redundancy-independent merging R factor value Rrim, | 3.284 The redundancy-independent merging R factor value Rrim, |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.023 The precision-indicating merging R factor value Rpim, | 0.012 The precision-indicating merging R factor value Rpim, | 0.637 The precision-indicating merging R factor value Rpim, |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 524547 Total number of measured reflections. | 49374 The total number of reflections measured for this | 52237 The total number of reflections measured for this |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 20617 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 2211 The total number of measured reflections classified as 'observed' | 2020 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 21.80 The mean of the ratio of the intensities to their | 54.50 The ratio of the mean of the intensities of the reflections | 1.60 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 The percentage of geometrically possible reflections represented | 100.0 The percentage of geometrically possible reflections represented | 100.0 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 25.4 Overall redundancy for this data set. | 22.3 Redundancy for the current shell. | 25.9 Redundancy for the current shell. |
CC(1/2) | - | - | - |
Refinement | |
---|---|
PDB entry ID _entry.id | 7MNT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-05-01 |