| 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 RUH2R |
Temperature [K] _diffrn.ambient_temp | 289.0 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-06-15 |
Detector _diffrn_detector.type | BRUKER NONIUS FAST |
| Software | |
Data reduction _software.classification | MADNESS |
Data scaling _software.classification | PROTEIN |
Phasing _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 31 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 61.17 61.17 99.56 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.14000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 8.000 | 2.190 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.140 | 2.140 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.109 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 12071 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 77.6 | 30.4 |
Multiplicity _reflns.pdbx_redundancy | 2.5 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1QJI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-06-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.140 Å |
R _refine.ls_R_factor_obs | 0.1640 |
Rwork _refine.ls_R_factor_R_work | 0.1640 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1AST |