| 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 | 120 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1995-12 |
Detector _diffrn_detector.type | PRINCETON 2K |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | X-PLOR (3.8) |
Model building _software.classification | X-PLOR (3.8) |
Refinement _software.classification | X-PLOR (3.8) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 119.9 92.3 149.3 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.90900 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.064 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 29703 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 87.1 |
Multiplicity _reflns.pdbx_redundancy | 3.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AFV |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-03-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 12.0 - 3.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2170 / 0.3240 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT, MULTIPLE ISOMORPHOUS REPLACEMENT, ANOMALOUS DISPERSION |
Starting model (for MR) _refine.pdbx_starting_model | FAB |