Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Temperature [K] _diffrn.ambient_temp | 277 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | TV AREA DETECTOR The general class of the radiation detector. |
Detector _diffrn_detector.type | BRUKER NONIUS FAST The make, model or name of the detector device used. |
Software | |
Data collection _software.classification | MADNES The classification of the program according to its |
Data reduction #1 _software.classification | ABSCOR The classification of the program according to its |
Data reduction #2 _software.classification | MADNES The classification of the program according to its |
Data scaling _software.classification | ABSCOR The classification of the program according to its |
Model building _software.classification | FRODO The classification of the program according to its |
Refinement _software.classification | EREF The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 103.1 Unit-cell length a corresponding to the structure reported in 103.1 Unit-cell length b corresponding to the structure reported in 46.6 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 |
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Low resolution limit [Å] _reflns.d_resolution_low | 8.000 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 2.300 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.090 The R value for merging intensities satisfying the observed |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 23217 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 93.7 The percentage of geometrically possible reflections represented |
Multiplicity | - |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 1NSA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-07-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.300 Å |
Rwork _refine.ls_R_factor_R_work | 0.1690 WARNING: no Rfree given (but Rwork)!? |