2WN4
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 CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.901, 44.523, 78.038 |
| Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
| Resolution | 38.040 - 1.850 |
| R-factor | 0.20176 |
| Rwork | 0.200 |
| R-free | 0.23906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1giq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.942 |
| 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 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.250 |
| Number of reflections | 33361 | |
| <I/σ(I)> | 13.12 | 3.86 |
| Completeness [%] | 96.0 | 76.3 |
| Redundancy | 3.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2M K-THIOCYANATE, 0.1 M TRIS PH 8.5, 20% PEG 2K MME |
