| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ENRAF-NONIUS FR571 |
Temperature [K] _diffrn.ambient_temp | 298 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1996-05 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data reduction #1 _software.classification | MADNES |
Data reduction #2 _software.classification | PROCOR |
Data scaling _software.classification | Agrovata |
Refinement _software.classification | GPRLSA |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 63 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 126.78 126.78 67.71 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 14.800 |
High resolution limit [Å] _reflns.d_resolution_high | 2.600 |
Rmerge _reflns.pdbx_Rsym_value | 0.101 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 18880 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.60 |
Completeness [%] _reflns.percent_possible_obs | 99.5 |
Multiplicity _reflns.pdbx_redundancy | 3.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1TLS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-12-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 14.8 - 2.600 Å |
Rwork _refine.ls_R_factor_R_work | 0.1800 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | TS.FDUMP.CB3717 |