6OQ7
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.018, 104.096, 113.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.140 - 2.390 |
| R-factor | 0.19916 |
| Rwork | 0.197 |
| R-free | 0.23621 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6oq5 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.998 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.140 | 2.450 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.140 | 0.500 |
| Number of reflections | 31676 | 1556 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 99.7 | |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M potassium acetate and 20% PEG 3350 |
