| 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 P14 (MX2) |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, EMBL c/o DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P14 (MX2) |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-09-24 |
Detector _diffrn_detector.type | DECTRIS EIGER2 XE 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97630 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER |
Refinement #1 _software.classification | REFMAC (5.8.0352) |
Refinement #2 _software.classification | PHENIX (1.19.2_4158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 153.11 153.11 230.41 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97630 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 114.925 |
High resolution limit [Å] _reflns.d_resolution_high | 3.186 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.613 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.643 |
Rpim _reflns.pdbx_Rpim_I_all | 0.188 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 24701 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.98 |
Completeness [%] _reflns.percent_possible_obs | 88.5 |
Multiplicity _reflns.pdbx_redundancy | 11.1 |
CC(1/2) _reflns.pdbx_CC_half | 0.952 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8BY3 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-12-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 114.9 - 3.186 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2045 / 0.2381 |
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 |