4EN7
Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-3-sialyllactosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-15 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 |
Unit cell lengths | 175.967, 175.967, 80.753 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.200 - 2.680 |
R-factor | 0.185 |
Rwork | 0.182 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zs6 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.730 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.066 | 0.397 |
Number of reflections | 39818 | |
<I/σ(I)> | 26.3 | 5 |
Completeness [%] | 98.9 | 98.2 |
Redundancy | 10.1 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 12%(v/v) 2-methyl-2,4-pentendiol, 20mM CaCl2, 100mM sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |