4PBU
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 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 | 2012-01-25 |
| Detector | CS-PAD CXI-2 |
| Wavelength(s) | 2.04 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 133.250, 226.260, 307.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.638 - 5.000 |
| R-factor | 0.2607 |
| Rwork | 0.261 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ARC |
| RMSD bond length | 0.039 |
| RMSD bond angle | 3.029 |
| Data reduction software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.638 | 5.123 |
| High resolution limit [Å] | 5.000 | 5.000 |
| Number of reflections | 40964 | |
| <I/σ(I)> | 5.4 | 2.1 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 684 | 617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7 | 283 | 100 mM Pipes pH 7.0, 5 mM CaCl2, 10 mM tocopherol, and 10-17% PEG 2000 |
