| 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 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2005-11-18 |
Detector _diffrn_detector.type | RIGAKU SATURN 92 |
| Software | |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | CNX |
Refinement #1 _software.classification | PHENIX (1.12_2829) |
Refinement #2 _software.classification | CNX |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 82.537 103.062 100.602 90.00 103.64 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54178 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 48.882 |
High resolution limit [Å] _reflns.d_resolution_high | 1.971 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.061 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 107921 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 93.5 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5QCQ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-12-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.9 - 1.970 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1670 / 0.1950 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |