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 |