| 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 | MAX IV BEAMLINE MicroMAX |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | MAX IV |
Beamline _diffrn_source.pdbx_synchrotron_beamline | MicroMAX |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2025-09-09 |
Detector _diffrn_detector.type | DECTRIS EIGER2 X CdTe 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97761 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing #1 _software.classification | Sir2014 (2019) |
Phasing #2 _software.classification | AutoSol |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.20.1_4487: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 4 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 77.045 77.045 21.512 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97761 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 38.520 | 38.520 | 2.050 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.000 | 8.930 | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.089 | 0.046 | 0.280 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.096 | 0.051 | 0.303 |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 16707 | 179 | 1214 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.31 | - | - |
Completeness [%] _reflns.percent_possible_obs | 99.4 | - | - |
Multiplicity _reflns.pdbx_redundancy | 7.0 | - | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.997 | 0.996 | 0.981 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9XV9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-11-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 38.5 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1348 / 0.1616 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |