| 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 | SSRF BEAMLINE BL10U2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL10U2 |
Temperature [K] _diffrn.ambient_temp | 80 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2023-07-16 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97918 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | MOLREP |
Refinement _software.classification | REFMAC (5.8.0189) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 140.409 140.409 134.482 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97918 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 134.480 |
High resolution limit [Å] _reflns.d_resolution_high | 2.780 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.224 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.232 |
Rpim _reflns.pdbx_Rpim_I_all | 0.058 |
Total number of observations _reflns.pdbx_number_measured_all | 307458 |
Total number unique _reflns.number_obs | 19675 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.00 |
Completeness [%] _reflns.percent_possible_obs | 97.0 |
Multiplicity _reflns.pdbx_redundancy | 15.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.996 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8WY3 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-10-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 121.6 - 2.780 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1858 / 0.2336 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 7wjs |