4WLA
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-06 |
| Detector | CS-PAD detector |
| Wavelength(s) | 1.36 |
| Spacegroup name | P 63 |
| Unit cell lengths | 66.900, 66.900, 40.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.730 - 1.600 |
| R-factor | 0.22194 |
| Rwork | 0.219 |
| R-free | 0.28272 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2phy |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.325 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 16.730 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 13500 |
| <I/σ(I)> | 8.7 |
| Completeness [%] | 100.0 |
| Redundancy | 1500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 296 | Microcrystals of ~2 x 2 x 5 um3 size were created by centrifugation in spin filters |
