5HDS
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 3 ps Structure
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] | 295 |
| Detector technology | PIXEL |
| Collection date | 2015-03-18 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.31 |
| 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 | 17.460 - 1.600 |
| R-factor | 0.19472 |
| Rwork | 0.192 |
| R-free | 0.23970 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.408 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 17.460 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 13064 |
| <I/σ(I)> | 10 |
| Completeness [%] | 98.9 |
| Redundancy | 1686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7 | 295 | Combine and vortex 4.45M sodium malonate with 100 uL protein (135 mg/ml initial concentration) for a final sodium malonate concentration of 3.2M. Let stand at room temperature for 1 hour. Spin at 10,000g for 2 hours in small spin concentrators. Vortex and let stand at room temperature for 4 hours. Harvest crystals and rebuffer with 3.0M sodium malonate. |
