| 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 | DIAMOND BEAMLINE I04-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-06-10 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.915870 |
| Software | |
Data processing _software.classification | autoPROC (1.0.5) |
Data reduction _software.classification | XDS (Jun 30, 2024) |
Data scaling #1 _software.classification | Aimless (0.7.15) |
Data scaling #2 _software.classification | STARANISO (2.4.16) |
Refinement _software.classification | REFMAC (5.8.0425) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 37.263 43.862 77.890 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.91587 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 38.945 | 38.944 | 1.253 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.226 | 3.450 | 1.226 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.043 | 0.025 | 0.242 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.048 | 0.027 | 0.307 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.019 | 0.011 | 0.185 |
Total number of observations _reflns_shell.number_measured_all | - | 11588 | 4056 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 37506 | 1875 | 1875 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 20.59 | 53.55 | 3.57 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.2 | 100.0 | 78.8 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 5.3 | 6.2 | 2.2 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.999 | 0.888 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9QNV |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-03-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 38.9 - 1.226 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1172 / 0.1482 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |