6X41
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 114.116, 114.116, 179.128 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.660 - 2.360 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wn5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (19-MAR-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.360 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Number of reflections | 49282 | 4452 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5.6 | 5.7 |
| CC(1/2) | 0.991 | 0.362 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M Li2SO4, 1.2M NaH2PO4, 0.8M K2HPO4, 0.1M Glycine pH 10.5 |
