| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH3R |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1992-02-17 |
Detector _diffrn_detector.type | RIGAKU |
| Software | |
Data reduction _software.classification | RIGAKU |
Data scaling _software.classification | RIGAKU |
Refinement _software.classification | GPRLSA |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 64.566 28.872 35.882 90.00 107.17 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 35.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.084 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12442 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.50 |
Completeness [%] _reflns.percent_possible_obs | 83.0 |
Multiplicity _reflns.pdbx_redundancy | 3.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1XCH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-06-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 1.700 Å |
Rwork _refine.ls_R_factor_R_work | 0.1790 WARNING: no Rfree given (but Rwork)!? |