| 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 | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, EMBL c/o DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P13 (MX1) |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-07-05 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.98400 |
| Software | |
Data processing _software.classification | autoPROC (1.0.5 (20200319)) |
Data reduction _software.classification | XDS (Jan 31, 2020 (BUILT 20200131)) |
Data scaling _software.classification | STARANISO (2.3.28 (20200301)) |
Phasing _software.classification | PHASER (2.8.3) |
Refinement _software.classification | BUSTER (2.10.3) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 6 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 92.88 92.88 57.61 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98400 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 80.440 | 2.190 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.070 | 2.070 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 13593 | 675 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 0.13 | - |
Completeness [%] _reflns.percent_possible_obs | 78.4 | - |
Multiplicity _reflns.pdbx_redundancy | 27.5 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.490 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9S6W |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-08-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 80.4 - 2.074 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2626 / 0.2979 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |