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 MICROMAX-007 HF The make, model or name of the source of radiation. |
Temperature [K] _diffrn.ambient_temp | 108 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | IMAGE PLATE The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 2009-11-26 The date of data collection. |
Detector _diffrn_detector.type | MAR scanner 345 mm plate The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 Comma separated list of wavelengths or wavelength range. |
Software | |
Data collection _software.classification | MAR345dtb 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 | SCALA (3.3.9; 2008/10/21; Phil R. Evans; pre@mrc-lmb.cam.ac.uk) The classification of the program according to its |
Phasing _software.classification | AMoRE (Jorge Navaza; ccp4@ccp4.ac.uk) The classification of the program according to its |
Refinement #1 _software.classification | BUSTER-TNT (Gerard Bricogne; buster-develop@GlobalPhasing.com) The classification of the program according to its |
Refinement #2 _software.classification | BUSTER (2.8.0) 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} | 53.297 Unit-cell length a corresponding to the structure reported in 67.214 Unit-cell length b corresponding to the structure reported in 68.952 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 103.39 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 | 1.54180 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 | 67.214 The largest value in angstroms for the interplanar spacings | 19.284 The highest value in angstroms for the interplanar spacings | 2.530 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.400 The smallest value in angstroms for the interplanar spacings | 7.590 The smallest value in angstroms for the interplanar spacings | 2.400 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs | 0.092 The R sym value as a decimal number. | 0.027 The value of Rmerge(I) for reflections classified as 'observed' | 0.497 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.032 The redundancy-independent merging R factor value Rrim, | 0.591 The redundancy-independent merging R factor value Rrim, |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.017 The precision-indicating merging R factor value Rpim, | 0.316 The precision-indicating merging R factor value Rpim, |
Total number of observations _reflns_shell.number_measured_all | - | 1888 The total number of reflections measured for this | 8764 The total number of reflections measured for this |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 18623 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 569 The total number of measured reflections which are symmetry- | 2695 The total number of measured reflections which are symmetry- |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 11.20 The mean of the ratio of the intensities to their | 23.20 The ratio of the mean of the intensities of the reflections | 1.50 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.7 The percentage of geometrically possible reflections represented | 92.0 The percentage of geometrically possible reflections represented | 100.0 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.3 Overall redundancy for this data set. | 3.3 Redundancy for the current shell. | 3.3 Redundancy for the current shell. |
CC(1/2) | - | - | - |
Refinement | |
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PDB entry ID _entry.id | 3QO1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-02-09 |