| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU FR-D |
Temperature [K] _diffrn.ambient_temp | 298 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1990-09-01 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data collection _software.classification | BUDDAH |
Data reduction #1 _software.classification | BUDDAH |
Data reduction #2 _software.classification | BUDDHA |
Data scaling _software.classification | BUDDHA |
Phasing #1 _software.classification | POLARRFN |
Phasing #2 _software.classification | X-PLOR |
Model building #1 _software.classification | POLARRFN |
Model building #2 _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 31 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 74.6 74.6 49.0 90.0 90.0 120.0 |
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 | 5.000 | 2.080 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.000 | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.063 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 10387 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 95.0 | 63.4 |
| Multiplicity | - | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AE7 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-03-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 5.0 - 2.000 Å |
R _refine.ls_R_factor_obs | 0.1920 |
Rwork _refine.ls_R_factor_R_work | 0.1920 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | BOVINE PLA2 |