4QX0
Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the cctbx.xfel 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) | 1.454 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.875, 134.811, 105.154 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.748 - 2.800 |
| R-factor | 0.1663 |
| Rwork | 0.165 |
| R-free | 0.19180 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | cctbx.xfel |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.748 | 2.880 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.122 | 0.753 |
| Number of reflections | 19894 | |
| <I/σ(I)> | 101.2 | 1.8 |
| Completeness [%] | 95.6 | 55.7 |
| Redundancy | 717.8 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN VIVO CRYSTALLIZATION | 303 | Cry3A crystallized within the bacterial cell, IN VIVO CRYSTALLIZATION, temperature 303K |
