| 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 | 80 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-10-25 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.981 |
| Software | |
Data collection _software.classification | MxCuBE |
Data scaling _software.classification | XDS |
Phasing _software.classification | PHENIX |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.14_3260: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | F 2 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 235.826 235.826 235.826 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98100 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 1.882 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.839 | 1.839 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.211 | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 183344 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.62 | - |
Completeness [%] _reflns.percent_possible_obs | 99.6 | - |
Multiplicity _reflns.pdbx_redundancy | 4.0 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6QGR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-01-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.1 - 1.839 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1753 / 0.2206 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4OMF |