| 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 | 295 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1996-12-18 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling _software.classification | SADABS |
Phasing #1 _software.classification | SHELXL-97 |
Phasing #2 _software.classification | X-PLOR |
Model building #1 _software.classification | SHELXL-97 |
Model building #2 _software.classification | X-PLOR |
Refinement #1 _software.classification | SHELXL-97 |
Refinement #2 _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 52.8 99.9 50.9 90.0 112.7 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 10.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.040 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 30564 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.80 |
Completeness [%] _reflns.percent_possible_obs | 87.0 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1SWR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-01-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.900 Å |
R _refine.ls_R_factor_obs | 0.1840 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2640 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1SWE |