2XRQ
Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.009, 96.099, 66.289 |
| Unit cell angles | 90.00, 97.22, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.21296 |
| Rwork | 0.212 |
| R-free | 0.23517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1efi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.395 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.060 | 0.430 |
| Number of reflections | 26414 | |
| <I/σ(I)> | 12.7 | 3 |
| Completeness [%] | 96.9 | 96.5 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 17-19% PEG3350, 150-210 MM NASO4, 7% GLYCEROL, 100 MM BIS-TRIS PROPANE, PH 7.5 |
