2QJ6
Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.050, 199.680, 58.720 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 56.335 - 2.500 |
| R-factor | 0.2277 |
| Rwork | 0.226 |
| R-free | 0.27340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7c |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.963 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.3.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.300 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.180 | 0.620 |
| Number of reflections | 29193 | |
| <I/σ(I)> | 7.84 | 2.12 |
| Completeness [%] | 91.9 | 80.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 0.2 M magnesium formate, 30 % (v/v) isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
