| 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 | SLS BEAMLINE X10SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X10SA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-09-04 |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.000006 |
| Software | |
Data processing _software.classification | autoPROC (1.1.7) |
Data reduction _software.classification | XDS (Jan 31, 2020) |
Data scaling #1 _software.classification | Aimless (0.7.7) |
Data scaling #2 _software.classification | STARANISO (2.3.63) |
Phasing _software.classification | PHASER |
Refinement _software.classification | BUSTER (2.11.8 (20-APR-2021)) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 31 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 66.012 66.012 86.330 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00001 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 34.450 | 34.448 | 2.079 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.878 | 5.978 | 1.878 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.051 | 0.034 | 1.830 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.052 | 0.035 | 1.884 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.012 | 0.008 | 0.442 |
Total number of observations _reflns_shell.number_measured_all | - | 10494 | 11481 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 12671 | 634 | 636 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 23.58 | 66.96 | 1.53 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 94.0 | 100.0 | 69.1 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 19.3 | 16.6 | 18.1 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.999 | 0.664 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7YUZ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-08-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 34.5 - 1.878 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2589 / 0.2985 |
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 |