| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2002-08-15 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction _software.classification | MOSFLM |
Data scaling _software.classification | SCALA |
Phasing _software.classification | AMoRE |
Refinement _software.classification | SHELXL-97 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 79.545 79.545 67.703 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 | 28.170 |
High resolution limit [Å] _reflns.d_resolution_high | 2.010 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.051 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 13952 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 94.4 |
Multiplicity _reflns.pdbx_redundancy | 9.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1OCW |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2003-02-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 28.2 - 2.000 Å |
R _refine.ls_R_factor_obs | 0.2658 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2904 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1OAQ |