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 | PHOTON FACTORY BEAMLINE BL-1A The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Photon Factory Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL-1A 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 | 2012-12-16 The date of data collection. |
Detector _diffrn_detector.type | DECTRIS PILATUS 2M-F The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.1 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | XDS The classification of the program according to its |
Data scaling #1 _software.classification | XSCALE (Wolfgang Kabsch) The classification of the program according to its |
Data scaling #2 _software.classification | XDS The classification of the program according to its |
Phasing _software.classification | MOLREP The classification of the program according to its |
Refinement _software.classification | PHENIX (1.8.2_1309; 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 1 21 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 44.886 Unit-cell length a corresponding to the structure reported in 97.156 Unit-cell length b corresponding to the structure reported in 72.559 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 102.41 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 | 1.10000 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | InnerShell | 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 | 9.050 The highest value in angstroms for the interplanar spacings | 3.250 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.066 The smallest value in angstroms for the interplanar spacings | 6.460 The smallest value in angstroms for the interplanar spacings | 3.070 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.151 The R value for merging intensities satisfying the observed | 0.053 The value of Rmerge(I) for reflections classified as 'observed' | 0.755 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.063 The redundancy-independent merging R factor value Rrim, | 0.894 The redundancy-independent merging R factor value Rrim, |
Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_obs | - | 2570 The number of reflections classified as 'observed' | 6259 The number of reflections classified as 'observed' |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 11397 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 779 The total number of measured reflections classified as 'observed' | 1813 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 10.22 The mean of the ratio of the intensities to their | 21.88 The ratio of the mean of the intensities of the reflections | 1.90 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.0 The percentage of geometrically possible reflections represented | 98.9 The percentage of geometrically possible reflections represented | 97.9 The percentage of geometrically possible reflections represented |
Multiplicity | - | - | - |
CC(1/2) | - | - | - |
Refinement | |
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PDB entry ID _entry.id | 3WGL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2013-08-06 |