| 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 MICROMAX-007 HF |
Temperature [K] _diffrn.ambient_temp | 200 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2010-02-23 |
Detector _diffrn_detector.type | RIGAKU SATURN 944+ |
| Software | |
Data collection _software.classification | HKL-2000 |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | PHENIX |
Model building _software.classification | PHENIX |
Refinement _software.classification | PHENIX (phenix.refine: 1.5_2) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 40.494 46.508 65.817 87.14 73.56 84.56 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 28.700 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 26273 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 84.8 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3QX9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-03-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 28.7 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1972 / 0.2499 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |