| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1993-12-03 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data collection _software.classification | XENGEN |
Data reduction _software.classification | XENGEN |
Data scaling _software.classification | XENGEN |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement #1 _software.classification | PROLSQ |
Refinement #2 _software.classification | X-PLOR |
| 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} | 25.318 54.729 30.681 90.00 111.15 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 10.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.041 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 3175 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 29.55 |
Completeness [%] _reflns.percent_possible_obs | 86.0 |
Multiplicity _reflns.pdbx_redundancy | 1.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1XEK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-01-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1970 / 0.3040 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 88% LOW HUMIDITY STRUCTURE |