| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1998-06-15 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data reduction _software.classification | MADNESS |
Data scaling _software.classification | FSSCALE |
Refinement _software.classification | X-PLOR (3.843) |
| 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} | 176.23 53.29 75.86 90.00 115.54 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 | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 28632 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 90.0 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1B5D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-01-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1600 / 0.2080 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIR |