Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Source type _diffrn_source.source | ROTATING ANODE The general class of the radiation source. |
Source details _diffrn_source.type | RIGAKU RUH2R The make, model or name of the source of radiation. |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER The general class of the radiation detector. |
Detector _diffrn_detector.type | ENRAF-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 | ABSCORR/CCP4 The classification of the program according to its |
Data reduction #2 _software.classification | MADNES The classification of the program according to its |
Data scaling #1 _software.classification | ABSCORR The classification of the program according to its |
Data scaling #2 _software.classification | CCP4 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 32 1 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 73.55 Unit-cell length a corresponding to the structure reported in 73.55 Unit-cell length b corresponding to the structure reported in 96.67 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. 120.0 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 |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 The largest value in angstroms for the interplanar spacings | 2.630 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.500 The smallest value in angstroms for the interplanar spacings | 2.500 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.120 The R value for merging intensities satisfying the observed | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 8311 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.40 The mean of the ratio of the intensities to their | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 78.9 The percentage of geometrically possible reflections represented | 45.7 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 2.2 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 3AIG |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-10-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.0 - 2.800 Å |
R _refine.ls_R_factor_obs | 0.1940 |
Rwork _refine.ls_R_factor_R_work | 0.1940 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | NATIVE ADAMALYSIN II (PDB ENTRY 1IAG) |