| 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 | Cu FINE FOCUS |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS |
Collection date _diffrn_detector.pdbx_collection_date | 2022-03-23 |
Detector _diffrn_detector.type | BRUKER PHOTON 100 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | PROTEUM PLUS (4.0) |
Data scaling _software.classification | PROTEUM4 |
Phasing _software.classification | PHENIX |
Model building _software.classification | Coot |
Refinement #1 _software.classification | PHENIX (1.20.1_4487) |
Refinement #2 _software.classification | REFMAC (5.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 57.777 156.233 167.051 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 16.320 |
High resolution limit [Å] _reflns.d_resolution_high | 2.650 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.114 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 41800 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.38 |
Completeness [%] _reflns.percent_possible_obs | 93.2 |
Multiplicity _reflns.pdbx_redundancy | 2.8 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8JFB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-05-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 16.3 - 2.650 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2114 / 0.2801 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4DP3 |