| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Temperature [K] _diffrn.ambient_temp | 296 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1997-05 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data reduction #1 _software.classification | MADNES |
Data reduction #2 _software.classification | PROCOR |
Data reduction #3 _software.classification | FBSCALE |
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} | 67.75 26.29 51.62 90.00 95.14 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 26.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 |
Rmerge _reflns.pdbx_Rsym_value | 0.027 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 5391 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 18.80 |
Completeness [%] _reflns.percent_possible_obs | 98.2 |
Multiplicity _reflns.pdbx_redundancy | 1.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AUC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-08-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 26.0 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1900 / 0.2700 |