| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ELLIOTT GX-21 |
Temperature [K] _diffrn.ambient_temp | 290 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1987-07-30 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data collection _software.classification | XENGEN |
Data reduction _software.classification | XENGEN |
Data scaling _software.classification | XENGEN |
Model building _software.classification | PROLSQ/PROFFT |
Refinement #1 _software.classification | PROFFT |
Refinement #2 _software.classification | PROLSQ |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 41.64 79.45 37.26 90.00 114.53 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 10.000 | 1.860 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.720 | 1.720 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.050 | 0.253 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 19553 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 18.80 | 2.95 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 84.4 | 49.9 |
Multiplicity _reflns.pdbx_redundancy | 3.4 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AU9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-09-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.800 Å |
Rwork _refine.ls_R_factor_R_work | 0.1510 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE MAP |