| 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 | 1997-02-06 |
Detector _diffrn_detector.type | XENTRONICS |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | X-PLOR (3.851) |
Model building _software.classification | X-PLOR (3.851) |
Refinement _software.classification | X-PLOR (3.851) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 45.2 46.0 161.2 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 18.900 |
High resolution limit [Å] _reflns.d_resolution_high | 2.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.057 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9104 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.80 |
Completeness [%] _reflns.percent_possible_obs | 84.1 |
Multiplicity _reflns.pdbx_redundancy | 2.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6PTD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-07-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 18.9 - 2.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1820 / 0.2940 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |