| 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, DESY BEAMLINE P11 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P11 |
Temperature [K] _diffrn.ambient_temp | 173 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-08-15 |
Detector _diffrn_detector.type | DECTRIS EIGER2 X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0332 |
| Software | |
Data reduction _software.classification | autoPROC |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (dev_4788: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 101.235 132.374 142.097 106.49 109.51 105.56 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03320 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 116.239 |
High resolution limit [Å] _reflns.d_resolution_high | 3.019 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.127 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.075 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 71124 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.70 |
Completeness [%] _reflns.percent_possible_obs | 59.3 |
Multiplicity _reflns.pdbx_redundancy | 3.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.993 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8U7J |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-09-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 54.8 - 3.020 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1997 / 0.2475 |
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 |