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. |