| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH2R |
Temperature [K] _diffrn.ambient_temp | 285 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1994-01 |
Detector _diffrn_detector.type | RIGAKU |
| Software | |
Data reduction _software.classification | R-AXIS (IIC) |
Data scaling _software.classification | R-AXIS (II) |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| 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} | 76.66 27.75 41.79 90.0 102.2 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 15.000 | 1.780 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.042 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 7813 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.00 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 81.4 | 58.8 |
| Multiplicity | - | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1GKH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-03-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2170 / 0.3120 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIERS |