| 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 | ESRF BEAMLINE ID30B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID30B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2023-10-05 |
Detector _diffrn_detector.type | DECTRIS EIGER2 X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.873129 |
| Software | |
Data processing _software.classification | autoPROC (1.0.5 (20230614)) |
Data reduction _software.classification | XDS (Jun 30, 2023 (BUILT 20230630)) |
Data scaling _software.classification | STARANISO (2.3.94 (20230525)) |
Phasing _software.classification | PHASER (2.8.3) |
Refinement _software.classification | BUSTER (2.10.4) |
| 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} | 98.205 47.845 148.885 90.00 103.29 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.87313 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 144.900 |
High resolution limit [Å] _reflns.d_resolution_high | 2.039 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.304 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.338 |
Rpim _reflns.pdbx_Rpim_I_all | 0.145 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 41902 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.20 |
Completeness [%] _reflns.percent_possible_obs | 89.3 |
Multiplicity _reflns.pdbx_redundancy | 5.4 |
CC(1/2) _reflns.pdbx_CC_half | 0.973 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9GD4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-08-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 23.5 - 2.039 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2161 / 0.2535 |
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 |