| 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 | 2023-07-16 |
Detector _diffrn_detector.type | DECTRIS EIGER2 S 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9763 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling #1 _software.classification | Aimless |
Data scaling #2 _software.classification | STARANISO |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.20.1_4487: ???) |
| 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} | 44.301 211.631 62.947 90.00 110.67 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97630 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 105.815 |
High resolution limit [Å] _reflns.d_resolution_high | 2.322 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.275 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.310 |
Rpim _reflns.pdbx_Rpim_I_all | 0.141 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 31387 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.18 |
Completeness [%] _reflns.percent_possible_obs | 0.7 |
Multiplicity _reflns.pdbx_redundancy | 4.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.976 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8Q71 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-08-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 105.8 - 2.322 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2268 / 0.2901 |
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 |