3AH2
HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylgalactosamine
Replaces: 2EHMExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.937, 62.061, 82.426 |
| Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
| Resolution | 43.930 - 1.700 |
| R-factor | 0.17673 |
| Rwork | 0.174 |
| R-free | 0.20325 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qxm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.191 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.056 | 0.312 |
| Number of reflections | 74218 | |
| <I/σ(I)> | 21.8 | 4.1 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 12% ethanol, 1.7M sodium chloride, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
