| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU |
Temperature [K] _diffrn.ambient_temp | 298 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1997-10 |
Detector _diffrn_detector.type | XUONG-HAMLIN MULTIWIRE |
| Software | |
Data reduction _software.classification | SDMS |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 21 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 170.8 170.8 170.8 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 10.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.200 |
Rmerge _reflns.pdbx_Rsym_value | 0.091 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 38169 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.70 |
Completeness [%] _reflns.percent_possible_obs | 93.0 |
Multiplicity _reflns.pdbx_redundancy | 2.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1A5L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-02-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.200 Å |
R _refine.ls_R_factor_obs | 0.1860 |
Rwork _refine.ls_R_factor_R_work | 0.1860 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |