| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ELLIOTT GX-20 |
Temperature [K] _diffrn.ambient_temp | 285 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1992-02 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement _software.classification | X-PLOR (3.1) |
| 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} | 38.8 79.7 60.8 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 | 30.000 | 2.800 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.600 | 2.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.pdbx_Rsym_value | 0.047 | 0.169 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 7850 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 77.9 | 15.9 |
Multiplicity _reflns.pdbx_redundancy | 2.5 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2SNW |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-02-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.700 Å |
R _refine.ls_R_factor_obs | 0.1910 |
Rwork _refine.ls_R_factor_R_work | 0.1910 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MULTIPLE ISOMORPHOUS REPLACEMENT AND MOLECULAR REPLACEMENT AVERAGING BETWEEN TWO CRYSTAL FORMS |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |