| 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 | BESSY BEAMLINE 14.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | BESSY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 14.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2013-08-03 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.799905 |
| Software | |
Data reduction _software.classification | XDS (VERSION March 30, 2013) |
Data scaling _software.classification | XPREP (v. 2014/2) |
Phasing _software.classification | SHELXDE |
Refinement _software.classification | REFMAC (5.8.0158) |
| 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} | 15.034 27.243 15.174 90.00 116.76 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.79990 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.000 |
High resolution limit [Å] _reflns.d_resolution_high | 0.800 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9545 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 35.85 |
Completeness [%] _reflns.percent_possible_obs | 81.8 |
Multiplicity _reflns.pdbx_redundancy | 3.0 |
CC(1/2) _reflns.pdbx_CC_half | 1.000 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5OQZ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-08-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.6 - 0.806 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.0844 / 0.0913 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |