| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | CHESS BEAMLINE F1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CHESS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | F1 |
Temperature [K] _diffrn.ambient_temp | 87 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1994-10 |
Detector _diffrn_detector.type | FUJI |
| Software | |
Data reduction #1 _software.classification | DENZO |
Data reduction #2 _software.classification | MOSFLM |
Data scaling #1 _software.classification | SCALEPACK |
Data scaling #2 _software.classification | CCP4 (AGROVATA |
Data scaling #3 _software.classification | ROTAVATA |
Phasing #1 _software.classification | MLPHARE |
Phasing #2 _software.classification | PHASES |
Phasing #3 _software.classification | HASSP |
Phasing #4 _software.classification | HEAVY |
Model building #1 _software.classification | HASSP |
Model building #2 _software.classification | HEAVY |
Refinement #1 _software.classification | XTALVIEW |
Refinement #2 _software.classification | X-PLOR (3.1) |
| 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} | 48.81 104.34 177.77 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.91800 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 30.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 |
Rmerge _reflns.pdbx_Rsym_value | 0.069 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 50007 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 92.5 |
Multiplicity _reflns.pdbx_redundancy | 4.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AUI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-08-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.100 Å |
R _refine.ls_R_factor_obs | 0.1870 |
Rwork _refine.ls_R_factor_R_work | 0.1870 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MULTIPLE ISOMORPHOUS REPLACEMENT PLUS ANOMALOUS SCATTERING |