| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source details _diffrn_source.type | BRUKER NONIUS |
Temperature [K] _diffrn.ambient_temp | 300 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1989-06 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data reduction _software.classification | MADNES |
Data scaling _software.classification | PRECURSOR (TO ABSURD/ ROTAVATA/AGROVATA) |
Phasing _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement #1 _software.classification | X-PLOR (3.1) |
Refinement #2 _software.classification | HANEEF |
Refinement #3 _software.classification | HARRIS |
Refinement #4 _software.classification | HOWLIN |
Refinement #5 _software.classification | KHAN |
| 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} | 37.76 43.71 107.44 90.00 108.54 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.900 |
High resolution limit [Å] _reflns.d_resolution_high | 2.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.082 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12942 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 84.7 |
Multiplicity _reflns.pdbx_redundancy | 3.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1A5D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-02-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.300 Å |
R _refine.ls_R_factor_obs | 0.1680 |
Rwork _refine.ls_R_factor_R_work | 0.1680 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 2GCR |