2WN8
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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-01 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.091, 42.744, 77.004 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 25.060 - 2.000 |
| R-factor | 0.22286 |
| Rwork | 0.220 |
| R-free | 0.27957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1giq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.079 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 24824 | |
| <I/σ(I)> | 11.9 | 1.94 |
| Completeness [%] | 94.0 | 75.3 |
| Redundancy | 3.5 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 0.1M MIB BUFFER PH 4.0, 20% PEG 1500 |
