| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-09-28 |
Detector _diffrn_detector.type | XUONG-HAMLIN MULTIWIRE |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | SDMS |
Data reduction _software.classification | SDMS |
Phasing _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement #1 _software.classification | TNT |
Refinement #2 _software.classification | X-PLOR (3.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 43.27 55.28 111.80 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 | 55.900 |
High resolution limit [Å] _reflns.d_resolution_high | 1.950 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.049 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9859 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 97.5 |
Multiplicity _reflns.pdbx_redundancy | 5.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1PUC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1995-12-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 1.950 Å |
R _refine.ls_R_factor_obs | 0.1870 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2410 |