4QX1
Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite
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 | 2013-03-11 |
| Detector | Cornell-SLAC Pixel Array Detector (CSPAD) |
| Wavelength(s) | 1.456 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.100, 135.400, 105.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.290 - 2.800 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.19730 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1dlc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.600 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.159 | 0.412 |
| Number of reflections | 21038 | |
| <I/σ(I)> | 9.5 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1128 | 691.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN VIVO CRYSTALLIZATION | 303 | Cry3A crystallized within the bacterial cell, IN VIVO CRYSTALLIZATION, temperature 303K |
