| 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 | APS BEAMLINE 24-ID-C |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 24-ID-C |
Temperature [K] _diffrn.ambient_temp | 80 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-02-22 |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.979180 |
| Software | |
Data reduction _software.classification | XDS (build 20200417) |
Data scaling _software.classification | XDS (build 20200417) |
Phasing _software.classification | PHASER (2.8.3) |
Model building _software.classification | O (15.1.0) |
Refinement _software.classification | BUSTER (20201211) |
| 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} | 85.709 104.015 223.911 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97918 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 200.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.060 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.246 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.294 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 71067 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.29 |
Completeness [%] _reflns.percent_possible_obs | 98.9 |
Multiplicity _reflns.pdbx_redundancy | 3.4 |
CC(1/2) _reflns.pdbx_CC_half | 0.985 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7SN0 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-10-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 112.0 - 3.080 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2347 / 0.2860 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6M0J |