4IXR
RT fs X-ray diffraction of Photosystem II, first illuminated state
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 | 2011-12-06 |
Detector | Cornell-SLAC Pixel Array Detector (CSPAD) |
Wavelength(s) | 1.2967, 1.7547 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 131.976, 227.568, 306.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.970 - 5.900 |
R-factor | 0.286 |
Rwork | 0.285 |
R-free | 0.31320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3BZ1 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.025 |
Data reduction software | cctbx.xfel |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1265)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.000 | 82.978 | 6.136 |
High resolution limit [Å] | 5.900 | 12.261 | 5.900 |
Number of reflections | 24671 | ||
<I/σ(I)> | 22.1 | 4.2 | |
Completeness [%] | 98.5 | 100 | 88 |
Redundancy | 22.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH | 7 | 298 | 4% PEG2000, 5 mM calcium chloride, 100 mM PIPES, pH 7.0, BATCH, temperature 298K |