| 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 | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-10-31 |
Detector _diffrn_detector.type | RAYONIX MX170-HS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.305 |
| Software | |
Data collection _software.classification | cctbx.xfel |
Data reduction #1 _software.classification | cctbx.prime |
Data reduction #2 _software.classification | cctbx.xfel |
Data reduction #3 _software.classification | psana |
Phasing _software.classification | PHASER (2.6.0) |
Refinement _software.classification | PHENIX |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 64 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 151.7 151.7 151.2 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.30500 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 131.376 | 131.376 | 3.357 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.300 | 8.958 | 3.300 |
| Rmerge | - | - | - |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs | 15996 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 29.23 | 137.32 | 4.07 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.9 | 97.8 | 99.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 39.2 | 67.0 | 20.8 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.863 | 0.833 | 0.178 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5MG1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-11-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 37.9 - 3.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2117 / 0.2447 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PAS-GAF from PDB 2O9C, and PHY domain from 4Q0J |