| 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 | 2022-10-18 |
Detector _diffrn_detector.type | Bruker PHOTON II |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.542 |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling _software.classification | SAINT |
Phasing _software.classification | MOLREP |
Refinement _software.classification | REFMAC (5.5) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 124.867 124.867 133.195 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54200 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 24.250 | 3.899 | 2.978 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.875 | 3.620 | 2.875 |
Rmerge _reflns_shell.pdbx_Rsym_value | - | 0.209 | 0.303 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 23926 | 23308 | 45957 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.30 | - | - |
Completeness [%] _reflns.percent_possible_obs | 99.6 | - | - |
Multiplicity _reflns.pdbx_redundancy | 9.8 | - | - |
CC(1/2) _reflns.pdbx_CC_half | 0.987 | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8HFK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-11-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 24.1 - 2.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2017 / 0.2894 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 7YB1 |