4QX3
Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data 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) | 1.457 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.300, 135.300, 105.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.310 - 2.900 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.19400 |
| Structure solution method | FOURIER SYNTHESIS |
| 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] | 88.640 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.244 | 0.489 |
| Number of reflections | 18944 | |
| <I/σ(I)> | 5.2 | 0.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 484.3 | 444.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN VIVO CRYSTALLIZATION | 303 | Cry3A crystallized within the bacterial cell, IN VIVO CRYSTALLIZATION, temperature 303K |
