6OQ5
Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 149.619, 168.565, 179.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.910 - 3.870 |
| R-factor | 0.26541 |
| Rwork | 0.263 |
| R-free | 0.31516 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvl 4r04 3pee 6c0b 3v0a 4np4 and 4NC2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.097 |
| 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] | 48.910 | 3.970 |
| High resolution limit [Å] | 3.870 | 3.870 |
| Rmerge | 0.137 | 1.548 |
| Number of reflections | 42971 | 2123 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M sodium acetate, 0.1M magnesium acetate, and 5% PEG 8K (final pH 5.2) |
