| 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 | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PROXIMA 2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-07-27 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0077 |
| Software | |
Data collection _software.classification | MxCuBE (v2) |
Data reduction _software.classification | XDS (Mar 15, 2019) |
Data scaling #1 _software.classification | pointless (1.11.21) |
Data scaling #2 _software.classification | autoPROC (1.0.5) |
Data scaling #3 _software.classification | STARANISO (2.2.19) |
Phasing _software.classification | PHASER (2.8.2) |
Model building _software.classification | Coot (0.8.9.2) |
Refinement _software.classification | BUSTER (2.10.3) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 229.859 229.859 159.012 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00770 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 114.930 |
High resolution limit [Å] _reflns.d_resolution_high | 2.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.117 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.124 |
Rpim _reflns.pdbx_Rpim_I_all | 0.039 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 21142 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.60 |
Completeness [%] _reflns.percent_possible_obs | 95.8 |
Multiplicity _reflns.pdbx_redundancy | 10.1 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6SCX |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-07-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 114.9 - 2.920 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2320 / 0.2600 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6O3P |