| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | BRUKER D8 QUEST |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2024-07-09 |
Detector _diffrn_detector.type | Bruker PHOTON II |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.542 |
| Software | |
Data reduction _software.classification | APEX 2 |
Data scaling _software.classification | APEX 2 |
Phasing _software.classification | HKL-3000 |
Refinement #1 _software.classification | AMBER (1.20.1_4487) |
Refinement #2 _software.classification | AMBER (1.20.1_4487) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 169.42 169.42 54.99 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54200 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 42.350 |
High resolution limit [Å] _reflns.d_resolution_high | 2.720 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.149 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 24571 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.60 |
Completeness [%] _reflns.percent_possible_obs | 96.0 |
Multiplicity _reflns.pdbx_redundancy | 6.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9L75 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-12-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 42.4 - 2.720 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2058 / 0.2631 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |