2WN7
Structural Basis for Substrate Recognition in the Enzymatic Component of ADP-ribosyltransferase Toxin CDTa from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.057, 46.772, 77.722 |
| Unit cell angles | 90.00, 97.73, 90.00 |
Refinement procedure
| Resolution | 39.970 - 2.250 |
| R-factor | 0.20775 |
| Rwork | 0.205 |
| R-free | 0.26498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1giq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.151 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.110 | 0.270 |
| Number of reflections | 21369 | |
| <I/σ(I)> | 10.85 | 3 |
| Completeness [%] | 95.8 | 74.9 |
| Redundancy | 3.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 0.1M MIB BUFFER PH 9.0, 20% PEG 1500 |
