| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-04-16 |
Detector _diffrn_detector.type | DECTRIS PILATUS 200K |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5406 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.20.1_4487: ???) |
| 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} | 132.963 132.963 38.085 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54060 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.040 |
High resolution limit [Å] _reflns.d_resolution_high | 2.350 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 28219 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.60 |
Completeness [%] _reflns.percent_possible_obs | 99.4 |
Multiplicity _reflns.pdbx_redundancy | 4.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.994 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9IUR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-07-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.0 - 2.350 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2325 / 0.2719 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |