2J3Z
Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 6.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.421, 272.898, 246.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j3v |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.603 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.000 | 2.360 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.040 | 0.130 |
| Number of reflections | 136331 | |
| <I/σ(I)> | 23.7 | 8.8 |
| Completeness [%] | 92.8 | 77.7 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | PROTEIN: 14 MG/ML IN H2O RESERVOIR: 0.1 M MES PH 6.1, 2.1 M (NH4)2SO4, 0.03 M COCL2 HANGING DROP 1:1 |
