| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Temperature [K] _diffrn.ambient_temp | 290 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994 |
Detector _diffrn_detector.type | SIEMENS-NICOLET X100 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing #1 _software.classification | PHASES |
Phasing #2 _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement #1 _software.classification | PROFFT |
Refinement #2 _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 59.90 59.90 85.37 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 | 30.100 |
High resolution limit [Å] _reflns.d_resolution_high | 2.400 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.048 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 5973 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 19.10 |
Completeness [%] _reflns.percent_possible_obs | 91.6 |
Multiplicity _reflns.pdbx_redundancy | 2.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1CQA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-07-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.400 Å |
Rwork _refine.ls_R_factor_R_work | 0.1780 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | SINGLE ISOMORPHOUS REPLACEMENT AND MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |