7M75
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE MFX |
Synchrotron site | SLAC LCLS |
Beamline | MFX |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2017-07-03 |
Detector | RAYONIX MX170-HS |
Wavelength(s) | 1.305 |
Spacegroup name | P 63 |
Unit cell lengths | 285.429, 285.429, 166.543 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.710 - 2.750 |
R-factor | 0.2641 |
Rwork | 0.264 |
R-free | 0.27920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jb0 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.991 |
Data reduction software | cctbx.xfel |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.710 | 2.790 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 199647 | 9949 |
<I/σ(I)> | 3.6 | |
Completeness [%] | 100.0 | |
Redundancy | 506.39 | |
CC(1/2) | 0.998 | 0.135 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | 5 mM MES, pH 6.0, 12 mM sodium sulfate, 0.2% beta-dodecyl maltoside |