| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU |
Temperature [K] _diffrn.ambient_temp | 285 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-12 |
Detector _diffrn_detector.type | RIGAKU RAXIS IIC |
| Software | |
Data collection _software.classification | R-AXIS |
Data reduction _software.classification | R-AXIS |
Data scaling _software.classification | R-AXIS |
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 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 78.78 78.78 36.90 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 | 80.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.930 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.067 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 8343 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.80 |
Completeness [%] _reflns.percent_possible_obs | 89.6 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3LYO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-03-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.930 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1790 / 0.2080 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIRECT REFINEMENT |
Starting model _refine.pdbx_starting_model | PDB ENTRY 6LYT |