| 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 | SLS BEAMLINE X06SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X06SA |
Temperature [K] _diffrn.ambient_temp | 80 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-01-29 |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.999869 |
| Software | |
Data reduction _software.classification | XDS (Version Feb5 2021) |
Data scaling _software.classification | XSCALE (Version Feb5 2021) |
Phasing _software.classification | PHENIX (1.19.2_4158) |
Model building _software.classification | Coot (0.9.6) |
Refinement _software.classification | PHENIX (1.19.2_4158) |
| 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} | 93.27 122.25 149.11 90.000 107.794 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99987 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 12.000 |
High resolution limit [Å] _reflns.d_resolution_high | 4.100 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.112 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 25065 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.36 |
Completeness [%] _reflns.percent_possible_obs | 99.2 |
Multiplicity _reflns.pdbx_redundancy | 28.2 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7QJI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-12-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 12.0 - 4.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2669 / 0.3155 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDBID 7QIA |