| 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 | SLAC LCLS BEAMLINE MFX |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLAC LCLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | MFX |
Temperature [K] _diffrn.ambient_temp | 298 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-10-02 |
Detector _diffrn_detector.type | CS-PAD CXI-1 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.312 |
| Software | |
Data processing _software.classification | CrystFEL (v0.6.3) |
Data reduction _software.classification | Cheetah |
Data scaling _software.classification | CrystFEL (v0.6.3) |
Phasing _software.classification | PHASER (v1.16-3546) |
Refinement _software.classification | PHENIX (v1.16-3546) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 58.75 58.75 192.83 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.31200 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 39.900 | 4.230 | 1.849 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.799 | 3.359 | 1.799 |
| Rmerge | - | - | - |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 19213 | 1556 | 1447 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 5.17 | - | 1.30 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | - | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 107.7 | - | 27.6 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.951 | 0.916 | 0.365 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7ASX |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-10-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.7 - 1.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2261 / 0.2731 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1khi |