| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | CHESS BEAMLINE A1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CHESS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | A1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1996-05-05 |
Detector _diffrn_detector.type | ADSC QUANTUM |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | VECREF |
Phasing #2 _software.classification | X-PLOR (3.1) |
Model building #1 _software.classification | VECREF |
Model building #2 _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} | 229.3 49.5 96.0 90.0 89.6 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.91400 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 12.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.110 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 29279 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.00 |
Completeness [%] _reflns.percent_possible_obs | 95.0 |
Multiplicity _reflns.pdbx_redundancy | 3.1 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AO7 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-07-21 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 2.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2450 / 0.3200 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT, HEAVY ATOM DERIVATIVES, ITERATIVE REAL-SPACE AVERAGING |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRIES 1HHK, 1BEC CHAIN 1934.4 |