8Y2L
The Crystal Structure of Glucosyltransferase TcdB from Clostridioides difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 155.166, 268.755, 194.862 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.150 - 3.950 |
| Rwork | 0.244 |
| R-free | 0.30020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.801 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.150 | 4.130 |
| High resolution limit [Å] | 3.950 | 3.950 |
| Number of reflections | 36051 | 4300 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 8.9 | |
| CC(1/2) | 0.998 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.01M RbCl, 0.01M SrAc2, 0.01M CsAc, 0.01M BaAc2, 0.1M BES, TEA pH7.5, 12.5% PEG4,000, 20% 1,2,6- Hexanetriol |
