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 |