| 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 | ESRF BEAMLINE ID30B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID30B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-09-10 |
Detector _diffrn_detector.type | DECTRIS PILATUS 2M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9655 |
| Software | |
Phasing _software.classification | PHASER |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.19.2-4158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 78.586 78.586 166.339 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.96550 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 71.160 | 3.022 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.680 | 2.680 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 1.648 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 18157 | 312 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.80 | - |
Completeness [%] _reflns.percent_possible_obs | 92.7 | - |
Multiplicity _reflns.pdbx_redundancy | 4.8 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.986 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9YUD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-10-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 71.1 - 2.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1868 / 0.2384 |
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 |