| 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 | 2023-02-24 |
Detector _diffrn_detector.type | Bruker PHOTON II |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5406 |
| Software | |
Data reduction _software.classification | PROTEUM PLUS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | MOLREP |
Refinement _software.classification | PHENIX (1.18_3861: ???) |
| 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} | 42.323 41.774 71.729 90.00 104.17 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54060 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.960 |
High resolution limit [Å] _reflns.d_resolution_high | 2.960 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.411 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 5191 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 18.20 |
Completeness [%] _reflns.percent_possible_obs | 99.6 |
Multiplicity _reflns.pdbx_redundancy | 3.3 |
CC(1/2) _reflns.pdbx_CC_half | 0.740 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8JEE |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-05-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 2.960 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2176 / 0.2482 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3KS3 |