| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | SIEMENS |
Temperature [K] _diffrn.ambient_temp | 277 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-07-11 |
Detector _diffrn_detector.type | RIGAKU |
| Software | |
Data reduction _software.classification | XDS |
Data scaling #1 _software.classification | XDS |
Data scaling #2 _software.classification | XSCALE |
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 | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 70.55 72.05 73.00 90.0 101.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 1000.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rsym_value | 0.049 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 23326 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 22.00 |
Completeness [%] _reflns.percent_possible_obs | 95.8 |
Multiplicity _reflns.pdbx_redundancy | 2.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AD8 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-02-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.000 Å |
R _refine.ls_R_factor_obs | 0.2050 |
Rwork _refine.ls_R_factor_R_work | 0.2050 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | THROMBIN-HIRUGEN-PEPTIDE 1A COMPLEX (UNPUBLISHED) |