| 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 ID23-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID23-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-07-28 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.976254 |
| Software | |
Data collection _software.classification | autoPROC |
Data reduction _software.classification | XDS (Jan 26, 2018 (BUILT 20180126)) |
Data scaling #1 _software.classification | Aimless (0.7.1) |
Data scaling #2 _software.classification | pointless (1.11.12) |
Data scaling #3 _software.classification | STARANISO (1.10.15) |
Phasing _software.classification | MOLREP |
Model building _software.classification | Coot |
Refinement _software.classification | REFMAC (5.8.0155) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 63.073 132.622 161.052 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97625 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 102.378 |
High resolution limit [Å] _reflns.d_resolution_high | 1.977 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.071 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.078 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 94907 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.28 |
Completeness [%] _reflns.percent_possible_obs | 99.7 |
Multiplicity _reflns.pdbx_redundancy | 5.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6RB5 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-04-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 102.4 - 1.977 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1831 / 0.2066 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2WBA |