6X6X
Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.956, 97.706, 106.366 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.440 - 1.710 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wn4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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] | 40.000 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rpim | 0.042 | |
| Number of reflections | 96532 | 4729 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.4 | |
| Redundancy | 13.4 | |
| CC(1/2) | 0.999 | 0.364 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Sodium Thiocyanate, 20% w/v PEG 3350 |
