| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | FREE ELECTRON LASER |
Source details _diffrn_source.type | SwissFEL ARAMIS BEAMLINE ESA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SwissFEL ARAMIS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ESA |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2022-07-02 |
Detector _diffrn_detector.type | PSI JUNGFRAU 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.035 |
| Software | |
Data reduction _software.classification | CrystFEL |
Data scaling _software.classification | CrystFEL |
Phasing _software.classification | PHASER |
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} | 70.20 117.76 170.47 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03500 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 31.290 | 6.390 | 2.401 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.360 | 5.079 | 2.360 |
| Rmerge | - | - | - |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 21894798 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 58959 | 3023 | 2890 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 8.09 | 24.93 | 0.85 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | 100.0 | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 371.4 | 1882.3 | 150.9 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.983 | 0.993 | 0.579 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8OY7 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-05-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 31.3 - 2.360 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.3221 / 0.4102 |
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 |