2ZOE
HA3 subcomponent of Clostridium botulinum type C progenitor toxin, complex with N-acetylneuramic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 |
| Unit cell lengths | 177.076, 177.076, 81.042 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.210 - 2.600 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2Z5A |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.066 | 0.416 |
| Number of reflections | 44733 | |
| <I/σ(I)> | 41.9 | 5 |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | 1.2M AMMONIUM PHOSPHATE, 0.1M SODIUM CITRATE, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
