1R4Q
Shiga toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 277 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1992-10-23 |
| Detector | WEISSENBERG |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 133.000, 147.180, 82.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.600 - 2.500 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.25660 |
| Structure solution method | Molecular replacement, SIR, averaging |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.900 |
| Data reduction software | BIOMOL |
| Data scaling software | WEIS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.600 | 2.660 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 53525 | |
| Completeness [%] | 94.1 | 75.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | SODIUM CITRATE, ETHANOL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
