| 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 | ALS BEAMLINE 4.2.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 4.2.2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS |
Collection date _diffrn_detector.pdbx_collection_date | 2018-01-09 |
Detector _diffrn_detector.type | RDI CMOS_8M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.83 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.16_3549) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 59.069 34.848 46.712 90.000 100.444 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.83000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.850 |
High resolution limit [Å] _reflns.d_resolution_high | 2.200 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.071 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.100 |
Rpim _reflns.pdbx_Rpim_I_all | 0.071 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 8716 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.32 |
Completeness [%] _reflns.percent_possible_obs | 97.9 |
Multiplicity _reflns.pdbx_redundancy | 1.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.986 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6XNL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-07-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 2.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2219 / 0.3211 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1SWI |