5TIS
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE XPP |
Synchrotron site | SLAC LCLS |
Beamline | XPP |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2015-11-18 |
Detector | RAYONIX MX170-HS |
Wavelength(s) | 1.3051 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.870, 223.140, 310.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.277 - 2.250 |
R-factor | 0.193550152737 |
Rwork | 0.193 |
R-free | 0.23088 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kai |
RMSD bond length | 0.006 |
RMSD bond angle | 0.503 |
Data reduction software | cctbx.xfel |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2481) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.280 | 44.280 | 2.289 |
High resolution limit [Å] | 2.250 | 6.107 | 2.250 |
Number of reflections | 385545 | ||
<I/σ(I)> | 19.834 | 120.764 | 2.036 |
Completeness [%] | 100.0 | 99.65 | 99.98 |
Redundancy | 158.47 | 649 | 10.37 |
CC(1/2) | 0.974 | 0.980 | 0.018 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.5 | 293 | Crystal growth was as described in Kern et al. 2005, Biochim. Biophys. Acta-Bioenergetics and Ibrahim et al. 2015, Struct. Dyn. 2 (4), 041705, substituting C12E8 for beta-DM and Betaine for glycerol |
1 | BATCH MODE | 6.5 | 293 | Crystal growth was as described in Kern et al. 2005, Biochim. Biophys. Acta-Bioenergetics and Ibrahim et al. 2015, Struct. Dyn. 2 (4), 041705, substituting C12E8 for beta-DM and Betaine for glycerol |