| 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 P14 (MX2) |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, EMBL c/o DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P14 (MX2) |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2023-09-24 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9762 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | STARANISO |
Phasing _software.classification | PHASER (2.8.3) |
Model building _software.classification | Coot (0.9.8.93) |
Refinement #1 _software.classification | REFMAC (5.8.0419) |
Refinement #2 _software.classification | PHENIX (1.21.2) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 143.257 147.977 62.464 90.00 104.95 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97620 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 101.080 |
High resolution limit [Å] _reflns.d_resolution_high | 2.260 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 40630 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.40 |
Completeness [%] _reflns.percent_possible_obs | 91.2 |
Multiplicity _reflns.pdbx_redundancy | 7.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9IH0 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-02-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 35.4 - 2.260 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2178 / 0.2404 |
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 |