| 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 | DIAMOND BEAMLINE I04 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-11-27 |
Detector _diffrn_detector.type | DECTRIS EIGER2 X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.91001 |
| Software | |
Data reduction _software.classification | xia2 (3.8.dev0) |
Data scaling _software.classification | DIALS (3.dev.615-gfee771ddc) |
Phasing _software.classification | BUSTER (2.10.4) |
Refinement _software.classification | BUSTER (2.10.4) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 82.588 111.824 62.551 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.91001 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 1.330 |
High resolution limit [Å] _reflns.d_resolution_high | 1.310 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.139 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.145 |
Rpim _reflns.pdbx_Rpim_I_all | 0.039 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 69740 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.70 |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 13.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8P0D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-05-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 18.6 - 1.310 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1775 / 0.2036 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |