| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | OTHER |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-11-17 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling _software.classification | SAINT |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| 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} | 57.4 80.4 110.3 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.71070 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 8.000 | 1.967 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.900 | 1.899 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.085 | 0.448 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 31366 | - |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 1.72 |
Completeness [%] _reflns.percent_possible_obs | 79.7 | - |
Multiplicity _reflns.pdbx_redundancy | 1.8 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1VLX |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-10-08 |
R _refine.ls_R_factor_obs | 0.1750 |
Rwork _refine.ls_R_factor_R_work | 0.1750 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | ISOMORPHOUS REPLACEMENT |
Starting model _refine.pdbx_starting_model | WILD-TYPE AZURIN |