2J3V
Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 3.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 114.811, 114.811, 162.681 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.320 - 2.110 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.23800 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.901 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.000 | 2.210 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.050 | 0.200 |
| Number of reflections | 36331 | |
| <I/σ(I)> | 30.9 | 8.9 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | PROTEIN: 10 MG/ML IN H2O RESERVOIR: 0.8 M (NH4)2SO4, 0.1 M CITRATE PH 3.0, HANGING DROP:1:1 |
