| 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 | 2019-03-13 |
Detector _diffrn_detector.type | DECTRIS PILATUS 200K |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54055 |
| Software | |
Data reduction _software.classification | CrysalisPro |
Data scaling _software.classification | SCALA |
Refinement _software.classification | PHENIX (dev_3283: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 48.905 108.373 75.098 90.00 103.18 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54055 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.090 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.059 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 50251 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.90 |
Completeness [%] _reflns.percent_possible_obs | 98.0 |
Multiplicity _reflns.pdbx_redundancy | 2.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.991 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8JP1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-06-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.1 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2055 / 0.2570 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |