| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ESRF BEAMLINE BM14 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BM14 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-10-24 |
Detector _diffrn_detector.type | MARRESEARCH |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.953 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | AutoSol |
Refinement _software.classification | PHENIX (1.11.1-2575_1496) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 88.957 88.957 158.665 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.95300 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.348 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 30191 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 104.20 |
Completeness [%] _reflns.percent_possible_obs | 95.6 |
Multiplicity _reflns.pdbx_redundancy | 38.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.930 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5WRT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-12-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.6 - 2.348 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2041 / 0.2323 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |