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 | APS BEAMLINE 19-BM The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 19-BM Synchrotron beamline. |
Detector technology _diffrn_detector.detector | AREA DETECTOR The general class of the radiation detector. |
Software | |
Refinement _software.classification | CNS (1.0) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 55.13 Unit-cell length a corresponding to the structure reported in 78.26 Unit-cell length b corresponding to the structure reported in 158.41 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 | NA |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 27.570 The largest value in angstroms for the interplanar spacings | 2.230 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.100 The smallest value in angstroms for the interplanar spacings | 2.100 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 19087 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 2813 The total number of measured reflections which are symmetry- |
<I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.3 The percentage of geometrically possible reflections represented | 95.4 The percentage of geometrically possible reflections represented |
Multiplicity | - | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 1J8S |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-05-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.6 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2320 / 0.2550 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD at the Se edge |