| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SRS BEAMLINE PX7.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SRS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PX7.2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-05 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling #1 _software.classification | SCALEPACK |
Data scaling #2 _software.classification | CCP4 |
Phasing #1 _software.classification | TNT |
Phasing #2 _software.classification | CCP4 |
Model building _software.classification | TNT/CCP4 |
Refinement _software.classification | TNT (5E) |
| 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} | 74.053 83.780 113.953 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.48800 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 27.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.050 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.081 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 161734 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 16.40 |
Completeness [%] _reflns.percent_possible_obs | 98.3 |
Multiplicity _reflns.pdbx_redundancy | 3.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BIQ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-06-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.0 - 2.050 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1910 / 0.2600 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER WITH INITIAL REFINEMENT |
Starting model _refine.pdbx_starting_model | DIFERROUS FORM OF R2 PROTEIN, PDB ENTRY 1XIK |