Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD SINGLE WAVELENGTH, LAUE, or MAD. |
Source type _diffrn_source.source | SYNCHROTRON The general class of the radiation source. |
Source details _diffrn_source.type | ALS BEAMLINE 8.2.2 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.2.2 Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 160 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 | 2004-02-21 The date of data collection. |
Detector _diffrn_detector.type | ADSC QUANTUM 4 The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9067, 0.9206, 0.9202 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 | SCALEPACK The classification of the program according to its |
Phasing _software.classification | CNS The classification of the program according to its |
Refinement _software.classification | CNS The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 102.026 Unit-cell length a corresponding to the structure reported in 103.243 Unit-cell length b corresponding to the structure reported in 71.664 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 | 1.10700 The radiation wavelength in angstroms. 1.02550 The radiation wavelength in angstroms. 1.00940 The radiation wavelength in angstroms. 1.00880 The radiation wavelength in angstroms. 0.99270 The radiation wavelength in angstroms. 0.90670 The radiation wavelength in angstroms. 0.92060 The radiation wavelength in angstroms. 0.92020 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 | 36.290 The largest value in angstroms for the interplanar spacings | 1.790 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.730 The smallest value in angstroms for the interplanar spacings | 1.730 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.041 The R sym value as a decimal number. | 0.474 R sym value in percent. |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 38238 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 3053 The total number of measured reflections which are symmetry- |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.20 The mean of the ratio of the intensities to their | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 95.4 The percentage of geometrically possible reflections represented | 77.2 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 7.1 Overall redundancy for this data set. | 2.4 Redundancy for the current shell. |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 1XJV |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-09-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 36.3 - 1.730 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2280 / 0.2370 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |