| 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 | 291 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1993-07 |
Detector _diffrn_detector.type | SIEMENS-NICOLET X100 |
| Software | |
Data collection _software.classification | XENGEN |
Data reduction #1 _software.classification | FBSCALE (LOCAL VERSION) |
Data reduction #2 _software.classification | XENGEN |
Data scaling _software.classification | FBSCALE (LOCAL VERSION) |
Phasing #1 _software.classification | PHASES |
Phasing #2 _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 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 45.3 71.0 78.3 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 | 40.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.800 |
Rmerge _reflns.pdbx_Rsym_value | 0.078 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 17211 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 80.1 |
Multiplicity _reflns.pdbx_redundancy | 5.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1SE4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-04-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.900 Å |
R _refine.ls_R_factor_obs | 0.2200 |
Rwork _refine.ls_R_factor_R_work | 0.2200 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |