6X6W
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.240, 44.470, 78.390 |
| Unit cell angles | 90.00, 116.96, 90.00 |
Refinement procedure
| Resolution | 39.120 - 1.890 |
| R-factor | 0.1938 |
| Rwork | 0.192 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wn4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.120 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 36970 | 1488 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 96.5 | 60.8 |
| Redundancy | 6.7 | 4.5 |
| CC(1/2) | 0.990 | 0.180 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG MME2K, 0.1M MIB pH7 |
