10OI
Structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP linked isofagomine analog 3-5
This is a non-PDB format compatible entry.
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 | 2022-11-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92011 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.051, 82.568, 113.082 |
| Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
| Resolution | 24.950 - 2.650 |
| R-factor | 0.2232 |
| Rwork | 0.221 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.448 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.710 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.200 | 0.900 |
| Rpim | 0.100 | 0.350 |
| Number of reflections | 40877 | 2553 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 5.9 | 5.8 |
| CC(1/2) | 0.970 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.085 M Tri-sodium citrate, 0.17 M Ammonium acetate, 25.5% (w/v) Polyethylene glycol 3,350 and 15% (v/v) Glycerol |
