Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Source type _diffrn_source.source | SYNCHROTRON The general class of the radiation source. |
Source details _diffrn_source.type | CHESS BEAMLINE A1 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CHESS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | A1 Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 293.0 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 | 1994-10 The date of data collection. |
Detector _diffrn_detector.type | PRINCETON 2K The make, model or name of the detector device used. |
Software | |
Data reduction _software.classification | DENZO The classification of the program according to its |
Data scaling _software.classification | HKL (SCALEPACK) The classification of the program according to its |
Phasing _software.classification | X-PLOR (3.1) The classification of the program according to its |
Model building _software.classification | X-PLOR (3.1) The classification of the program according to its |
Refinement _software.classification | X-PLOR (3.1) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 27.01 Unit-cell length a corresponding to the structure reported in 26.42 Unit-cell length b corresponding to the structure reported in 20.42 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 | 0.91000 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | OuterShell |
---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 8.000 The largest value in angstroms for the interplanar spacings | 1.800 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.600 The smallest value in angstroms for the interplanar spacings | 1.600 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.049 The R value for merging intensities satisfying the observed | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 1836 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 | 86.0 The percentage of geometrically possible reflections represented | 60.0 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 3.6 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 1A3J |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-01-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.600 Å |
R _refine.ls_R_factor_obs | 0.2130 |
Rwork _refine.ls_R_factor_R_work | 0.2130 WARNING: no Rfree given? |