| 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 FR-E+ SUPERBRIGHT |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-01-01 |
Detector _diffrn_detector.type | RIGAKU SATURN 944 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | HKL-2000 |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | SHARP |
Refinement _software.classification | REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 119.132 120.829 122.847 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 | 85.700 |
High resolution limit [Å] _reflns.d_resolution_high | 1.720 |
Rmerge _reflns.pdbx_Rsym_value | 0.051 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 84134 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 29.20 |
Completeness [%] _reflns.percent_possible_obs | 94.3 |
Multiplicity _reflns.pdbx_redundancy | 3.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3TUR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-09-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 85.7 - 1.720 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1985 / 0.2346 |