| 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 | SSRL BEAMLINE BL12-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL12-1 |
Temperature [K] _diffrn.ambient_temp | 310 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-11-20 |
Detector _diffrn_detector.type | DECTRIS EIGER2 S 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.826533 |
| Software | |
Data reduction _software.classification | DIALS (3.5.2) |
Data scaling _software.classification | DIALS (3.5.2) |
Phasing _software.classification | PHENIX (1.20.1_4487) |
Refinement _software.classification | PHENIX (1.20.1_4487) |
| 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} | 34.299 45.706 99.116 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.82653 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 49.560 | 1.250 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.230 | 1.230 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.231 | 7.468 |
| Rmeas | - | - |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.044 | 1.404 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 86426 | 4022 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 12.30 | 0.30 |
Completeness [%] _reflns.percent_possible_obs | 98.9 | - |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 28.2 | 28.4 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.321 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7FQF |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-09-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 33.6 - 1.230 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1306 / 0.1691 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 7LVC |