| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Temperature [K] _diffrn.ambient_temp | 291 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-12-01 |
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 (3.0) |
Model building _software.classification | X-PLOR (3.0) |
Refinement _software.classification | X-PLOR (3.0) |
| 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} | 47.08 47.08 102.37 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 15.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.820 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.069 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 7346 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 8.0 |
Multiplicity _reflns.pdbx_redundancy | 2.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1MKS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-08-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.900 Å |
R _refine.ls_R_factor_obs | 0.1860 |
Rwork _refine.ls_R_factor_R_work | 0.1860 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | THE ATOMIC COORDINATES OF THE NEW HIGH RESOLUTION REFINEMENT OF THE TRIGONAL FORM OF THE NATIVE ENZYME WERE USED AS THE STARTING MODEL (PDB ENTRY 1MKT). |
Starting model _refine.pdbx_starting_model | WILD TYPE |