| 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 | 1996-04-23 |
Detector _diffrn_detector.type | NICOLET |
| Software | |
Data reduction _software.classification | XENGEN |
Data scaling _software.classification | XENGEN |
Phasing #1 _software.classification | SHELXL-96 |
Phasing #2 _software.classification | X-PLOR |
Model building #1 _software.classification | SHELXL-96 |
Model building #2 _software.classification | X-PLOR |
Refinement #1 _software.classification | SHELXL-96 |
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} | 57.794 85.191 46.599 90.00 100.13 90.00 |
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 | 50.000 | 2.000 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.900 | 1.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.042 | 0.417 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 25758 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 14.00 | 1.10 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 76.0 | 20.0 |
Multiplicity _reflns.pdbx_redundancy | 7.0 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1SWD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-03-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.900 Å |
R _refine.ls_R_factor_obs | 0.2020 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.3280 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1SWA |