| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU R-AXIS II |
Temperature [K] _diffrn.ambient_temp | 291 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-02-04 |
Detector _diffrn_detector.type | RIGAKU RAXIS IIC |
| Software | |
Data collection _software.classification | R-AXIS (IIC) |
Data reduction _software.classification | R-AXIS (IIC) |
Data scaling _software.classification | R-AXIS (II) |
Phasing _software.classification | X-PLOR |
Model building _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} | 46.36 46.36 102.56 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 | 51.280 | 1.960 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.910 | 1.910 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.087 | 0.411 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 9907 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.0 | 82.0 |
Multiplicity _reflns.pdbx_redundancy | 3.0 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1FDK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-09-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.910 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1840 / 0.2800 |
Structure solution method _refine.pdbx_method_to_determine_struct | THE HIGH RESOLUTION ATOMIC COORDINATES OF THE WILD TYPE WERE USED AS THE STARTING MODEL FOR REFINEMENT |
Starting model _refine.pdbx_starting_model | WILD TYPE PLA2 |