| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-05-17 |
Detector _diffrn_detector.type | SIEMENS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | XENGEN |
Phasing #1 _software.classification | SHELXL-93 |
Phasing #2 _software.classification | X-PLOR (3.1) |
Model building #1 _software.classification | SHELXL-93 |
Model building #2 _software.classification | X-PLOR (3.1) |
Refinement #1 _software.classification | SHELXL-93 |
Refinement #2 _software.classification | X-PLOR (3.1) |
| 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} | 32.2 42.2 52.4 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 | 15.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.800 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.045 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 6562 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 94.0 |
Multiplicity _reflns.pdbx_redundancy | 2.8 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1PCH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1995-07-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 1.800 Å |
R _refine.ls_R_factor_obs | 0.1700 |
Rwork _refine.ls_R_factor_R_work | 0.1700 WARNING: no Rfree given? |