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 | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Australian Synchrotron Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | MX2 Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 100 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | CCD The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 2012-10-16 The date of data collection. |
Detector _diffrn_detector.type | ADSC QUANTUM 315r The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.95371 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 | SCALA The classification of the program according to its |
Phasing _software.classification | PHASER The classification of the program according to its |
Refinement _software.classification | PHENIX (1.10.1_2155: ???) 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} | 90.19 Unit-cell length a corresponding to the structure reported in 97.56 Unit-cell length b corresponding to the structure reported in 113.29 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 | 0.95371 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 | 73.926 The largest value in angstroms for the interplanar spacings | 2.589 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.500 The smallest value in angstroms for the interplanar spacings | 2.500 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.182 The R value for merging intensities satisfying the observed | - |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 1.379 The redundancy-independent merging R factor value Rrim, |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 35016 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 8.73 The mean of the ratio of the intensities to their | 1.84 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs | 99.0 The percentage of geometrically possible reflections represented | - |
Multiplicity _reflns.pdbx_redundancy | 4.3 Overall redundancy for this data set. | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.988 The Pearson's correlation coefficient expressed as a decimal value | 0.466 The Pearson's correlation coefficient expressed as a decimal value |
Refinement | |
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PDB entry ID _entry.id | 6BZH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-12-24 |