| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source details _diffrn_source.type | ENRAF-NONIUS |
Temperature [K] _diffrn.ambient_temp | 290 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1993-12-15 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data collection _software.classification | MADNES |
Data reduction #1 _software.classification | CCP4 |
Data reduction #2 _software.classification | MADNES |
Data scaling _software.classification | CCP4 |
Phasing _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement _software.classification | X-PLOR (3.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 71.92 71.84 73.01 90.00 100.39 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.200 |
Rmerge _reflns.pdbx_Rsym_value | 0.060 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 16555 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 98.0 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AWF |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-10-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 2.200 Å |
R _refine.ls_R_factor_obs | 0.1960 |
Rwork _refine.ls_R_factor_R_work | 0.1960 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |