| 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 | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS-II |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 17-ID-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2023-09-23 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.007428 |
| Software | |
Data reduction _software.classification | autoPROC |
Data scaling _software.classification | STARANISO |
Phasing _software.classification | AutoSol |
Refinement _software.classification | PHENIX (1.20.1_4487) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 106.433 106.433 93.032 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00743 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 19.344 | 19.344 | 4.676 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 4.208 | 9.796 | 4.208 |
| Rmerge | - | - | - |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 3811 | 192 | 192 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.20 | - | - |
Completeness [%] _reflns.percent_possible_obs | 86.8 | - | - |
Multiplicity _reflns.pdbx_redundancy | 5.0 | - | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.993 | 0.990 | 0.253 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9D6U |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-08-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.3 - 4.210 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1735 / 0.2219 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |