| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Temperature [K] _diffrn.ambient_temp | 285 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1990-01-15 |
Detector _diffrn_detector.type | UCSD MARK III |
| Software | |
Data reduction _software.classification | UCSD-system |
Data scaling _software.classification | UCSD-system |
Phasing _software.classification | PHASES |
Refinement _software.classification | X-PLOR (3.8) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 73.79 80.05 131.82 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 | 99.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.200 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.057 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 16921 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.80 |
Completeness [%] _reflns.percent_possible_obs | 93.0 |
Multiplicity _reflns.pdbx_redundancy | 4.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BK4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-07-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.300 Å |
R _refine.ls_R_factor_obs | 0.1770 |
Rwork _refine.ls_R_factor_R_work | 0.1770 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MIRAS |