| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1994-11-10 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data reduction _software.classification | MADNES |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 114.87 39.98 92.42 90.00 102.82 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 8.000 | 3.600 |
High resolution limit [Å] _reflns_shell.d_res_high | - | 3.460 |
| - | - | |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.106 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 4380 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 82.6 | 63.0 |
Multiplicity _reflns.pdbx_redundancy | 2.5 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1KCT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-08-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 3.460 Å |
R _refine.ls_R_factor_obs | 0.1840 |
Rwork _refine.ls_R_factor_R_work | 0.1840 WARNING: no Rfree given? |