2BVL
Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-13 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.010, 95.797, 112.915 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.24400 |
Structure solution method | OTHER |
RMSD bond length | 0.012 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.290 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.290 |
Number of reflections | 66915 | |
<I/σ(I)> | 14.9 | 4.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.50 |