4DMW
Crystal structure of the GT domain of Clostridium difficile toxin A (TcdA) in complex with UDP and Manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93930 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 66.660, 156.730, 65.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.119 - 2.500 |
| R-factor | 0.2045 |
| Rwork | 0.202 |
| R-free | 0.25910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dmv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.173 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.365 | 41.119 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.039 | 0.521 | |
| Number of reflections | 22520 | ||
| <I/σ(I)> | 6.7 | 12.9 | 1.4 |
| Completeness [%] | 92.2 | 91.8 | 86.8 |
| Redundancy | 3.6 | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.2 M diammonium tartrate, 20% w/v PEG3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
