2XRS
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 | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.420, 61.060, 100.830 |
| Unit cell angles | 94.57, 95.24, 114.10 |
Refinement procedure
| Resolution | 13.990 - 1.810 |
| R-factor | 0.19605 |
| Rwork | 0.195 |
| R-free | 0.21864 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1efi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.275 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 92987 | |
| <I/σ(I)> | 8.35 | 2.26 |
| Completeness [%] | 87.3 | 67.1 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20% PEG 3350, 200 MM SODIUM CITRATE, 20% GLYCEROL, 100MM BIS-TRIS PROPANE (PH 6.5) |
