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 | ROTATING ANODE The general class of the radiation source. |
Source details _diffrn_source.type | RIGAKU RUH3R 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. |
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 | HKL-2000 The classification of the program according to its |
Data reduction _software.classification | HKL-2000 The classification of the program according to its |
Data scaling _software.classification | HKL-2000 The classification of the program according to its |
Phasing _software.classification | PHENIX The classification of the program according to its |
Model building _software.classification | PHENIX The classification of the program according to its |
Refinement _software.classification | PHENIX (phenix.refine: 1.9_1692) 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} | 41.953 Unit-cell length a corresponding to the structure reported in 41.224 Unit-cell length b corresponding to the structure reported in 71.951 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 103.84 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 | OuterShell |
---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 19.900 The largest value in angstroms for the interplanar spacings | 1.680 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.640 The smallest value in angstroms for the interplanar spacings | 1.640 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value | 0.070 The R sym value as a decimal number. | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 35999 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 92.5 The percentage of geometrically possible reflections represented | 87.2 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 4.3 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
---|---|
PDB entry ID _entry.id | 4R59 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2014-08-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 1.650 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1570 / 0.2050 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB entry 3KS3 |