| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 298.0 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1991 |
Detector _diffrn_detector.type | XUONG-HAMLIN MULTIWIRE |
| Software | |
Data collection _software.classification | Xuong-Hamlin (Align) |
Data reduction _software.classification | Xuong-Hamlin (Scaling Suite) |
Data scaling _software.classification | XUONG-HAMLIN (DETECTOR SYSTEM) |
Phasing _software.classification | TNT |
Refinement _software.classification | TNT |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 94.1 94.1 131.4 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 | 35.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.580 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.066 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 41090 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 86.0 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1THL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1993-11-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.700 Å |
R _refine.ls_R_factor_obs | 0.1620 |
Rwork _refine.ls_R_factor_R_work | 0.1620 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | PDB ENTRY 3TLN |