| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SEALED TUBE |
Temperature [K] _diffrn.ambient_temp | 293.00 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1996-05-01 |
Detector _diffrn_detector.type | SIEMENS HI-STAR |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling _software.classification | SAINT |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 20.34 29.62 51.93 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 | 8.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.680 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.086 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 5324 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 84.5 |
Multiplicity _reflns.pdbx_redundancy | 2.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 313D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-02-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.680 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2070 / 0.2870 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |