2WN5
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 | 57.401, 44.013, 77.491 |
Unit cell angles | 90.00, 102.52, 90.00 |
Refinement procedure
Resolution | 34.610 - 1.900 |
R-factor | 0.21269 |
Rwork | 0.210 |
R-free | 0.25945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1giq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.110 | 0.330 |
Number of reflections | 29974 | |
<I/σ(I)> | 9.11 | 3.31 |
Completeness [%] | 96.3 | 75.5 |
Redundancy | 3.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 0.1M MIB BUFFER PH 9.0, 20% PEG 1500 |