| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Photon Factory |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL-6A |
Temperature [K] _diffrn.ambient_temp | 286 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1994-12 |
Detector _diffrn_detector.type | WEISSENBERG |
| Software | |
Data collection _software.classification | WEIS |
Data reduction #1 _software.classification | Agrovata |
Data reduction #2 _software.classification | WEIS |
Data scaling _software.classification | Agrovata |
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 | I 41 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 95.6 95.6 86.0 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.04000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.092 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12039 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.20 |
Completeness [%] _reflns.percent_possible_obs | 80.0 |
Multiplicity _reflns.pdbx_redundancy | 10.1 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1WBA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-06-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 1.800 Å |
R _refine.ls_R_factor_obs | 0.1900 |
Rwork _refine.ls_R_factor_R_work | 0.1900 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MULTIPLE ISOMORPHOUS REPLACEMENT AND MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | SOYBEAN TRYPSIN INHIBITOR |