4TNI
RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2013-03-03 |
Detector | CS-PAD detector |
Wavelength(s) | 1.77 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 132.433, 228.809, 307.918 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.960 - 4.600 |
R-factor | 0.278201315123 |
Rwork | 0.278 |
R-free | 0.28394 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.751 |
Data reduction software | cctbx.xfel |
Refinement software | PHENIX ((phenix.refine: dev_1635+SVN)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.960 | 4.760 |
High resolution limit [Å] | 4.600 | 4.600 |
Number of reflections | 49771 | |
<I/σ(I)> | 46.2 | |
Completeness [%] | 99.5 | 98.2 |
Redundancy | 104.2 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 298 | 4% PEG2000, 5 mM calcium chloride, 100 mM PIPES, pH 7.0, BATCH, temperature 298K |