7LOU
Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-10 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.087, 121.340, 206.417 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 104.610 - 1.820 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.25150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uqm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.412 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.340 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.070 | 1.600 |
| Number of reflections | 115828 | 5500 |
| <I/σ(I)> | 13.8 | 1 |
| Completeness [%] | 99.8 | 97.8 |
| Redundancy | 7.3 | 6 |
| CC(1/2) | 0.990 | 0.620 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 200 mM Ammonium phosphate monobasic, 20% w/v Polyethylene glycol 3,350 |
