3SS1
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0094 |
| Spacegroup name | P 65 |
| Unit cell lengths | 141.908, 141.908, 65.946 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.304 - 2.202 |
| R-factor | 0.1843 |
| Rwork | 0.182 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.004 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.072 | 0.587 |
| Number of reflections | 38544 | |
| <I/σ(I)> | 23.4 | 3.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 10% PEG3350, 0.2 M L-proline, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
