7LOV
Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-23 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.589, 82.676, 113.227 |
| Unit cell angles | 90.00, 92.43, 90.00 |
Refinement procedure
| Resolution | 28.970 - 2.500 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uqm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.970 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.270 | 1.790 |
| Number of reflections | 48863 | 4458 |
| <I/σ(I)> | 6.2 | 1.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.990 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 85 mM Sodium Citrate pH 5.6, 170 mM Ammonium Acetate, 25.5 % (w/v) PEG 4000, 15 %(v/v) Glycerol |
