| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, EMBL c/o DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P13 (MX1) |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2022-09-25 |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9763 |
| Software | |
Data reduction _software.classification | XDS (VERSION Jan 10, 2022 BUILT=20220220) |
Data scaling _software.classification | XDS (VERSION Jan 10, 2022 BUILT=20220220) |
Phasing _software.classification | PHENIX |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.19.2_4158: ???) |
| 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} | 167.440 167.440 364.743 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97630 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 123.340 |
High resolution limit [Å] _reflns.d_resolution_high | 3.430 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.570 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.582 |
Rpim _reflns.pdbx_Rpim_I_all | 0.113 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 69594 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.25 |
Completeness [%] _reflns.percent_possible_obs | 97.9 |
Multiplicity _reflns.pdbx_redundancy | 25.3 |
CC(1/2) _reflns.pdbx_CC_half | 0.994 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8Q2F |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-08-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 123.3 - 3.430 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1749 / 0.2257 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |