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 The make, model or name of the source of radiation. |
Temperature [K] _diffrn.ambient_temp | 100 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 | 2007-07-07 The date of data collection. |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ 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 | CrystalClear The classification of the program according to its |
Data reduction _software.classification | MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk) The classification of the program according to its |
Data scaling _software.classification | SCALA (3.2.21; 7/4/2006; Phil R. Evans; pre@mrc-lmb.cam.ac.uk) The classification of the program according to its |
Phasing _software.classification | PHENIX The classification of the program according to its |
Refinement _software.classification | PHENIX (Paul D. Adams; PDAdams@lbl.gov) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 101.903 Unit-cell length a corresponding to the structure reported in 33.067 Unit-cell length b corresponding to the structure reported in 73.869 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 90.39 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 | 73.922 The largest value in angstroms for the interplanar spacings | 24.630 The highest value in angstroms for the interplanar spacings | 1.950 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.850 The smallest value in angstroms for the interplanar spacings | 5.850 The smallest value in angstroms for the interplanar spacings | 1.850 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.080 The R value for merging intensities satisfying the observed | 0.055 The value of Rmerge(I) for reflections classified as 'observed' | 0.558 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas | - | - | - |
Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_all | - | 3422 The total number of reflections measured for this | 14884 The total number of reflections measured for this |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 21141 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 690 The total number of measured reflections which are symmetry- | 3004 The total number of measured reflections which are symmetry- |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 5.80 The mean of the ratio of the intensities to their | 10.00 The ratio of the mean of the intensities of the reflections | 1.30 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.6 The percentage of geometrically possible reflections represented | 94.1 The percentage of geometrically possible reflections represented | 97.3 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 5.0 Overall redundancy for this data set. | 5.0 Redundancy for the current shell. | 5.0 Redundancy for the current shell. |
CC(1/2) | - | - | - |
Refinement | |
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PDB entry ID _entry.id | 3MWR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-05-06 |