| 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 | 80 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2022-05-04 |
Detector _diffrn_detector.type | DECTRIS EIGER2 X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9999 |
| Software | |
Data reduction #1 _software.classification | autoPROC |
Data reduction #2 _software.classification | XDS (VERSION Jan 31 |
Data reduction #3 _software.classification | autoPROC |
Data scaling #1 _software.classification | autoPROC (Version 1.1.7) |
Data scaling #2 _software.classification | Aimless |
Phasing _software.classification | MOLREP |
Refinement _software.classification | REFMAC (5.8.0267) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 166.045 166.045 78.769 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99990 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 71.270 | 2.020 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.840 | 1.843 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.pdbx_Rsym_value | 0.136 | 1.640 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.143 | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 73151 | 1843 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.20 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 77.0 | 68.8 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 11.4 | 12.8 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9GOX |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-09-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 71.3 - 1.840 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1744 / 0.2083 |
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 |