| 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 ESB |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SwissFEL ARAMIS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ESB |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-05-01 |
Detector _diffrn_detector.type | PSI JUNGFRAU 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.03 |
| Software | |
Data reduction _software.classification | CrystFEL (0.8.0) |
Data scaling _software.classification | CrystFEL (0.8.0) |
Phasing _software.classification | REFMAC |
Refinement _software.classification | PHENIX (1.19.2_4158) |
| 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} | 63.0 28.4 35.3 90.0 107.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 10.000 | 1.300 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.270 | 1.270 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 23867 | 2146 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.10 | - |
Completeness [%] _reflns.percent_possible_obs | 99.6 | - |
Multiplicity _reflns.pdbx_redundancy | 133.0 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8R90 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-11-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 9.9 - 1.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1746 / 0.2056 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |