| 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 | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PROXIMA 2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2023-03-30 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.98011 |
| Software | |
Data processing _software.classification | autoPROC |
Refinement _software.classification | PHENIX (1.20_4459) |
| 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} | 71.826 113.486 113.599 60.11 89.19 86.36 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98011 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 49.240 | 2.292 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.290 | 2.292 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.148 | - |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.617 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.423 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 128674 | 8218 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.90 | - |
Completeness [%] _reflns.percent_possible_obs | 97.8 | - |
Multiplicity _reflns.pdbx_redundancy | 3.3 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9H38 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-10-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.2 - 2.290 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1854 / 0.2418 |
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 |