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 |