6OQ6
Structure of the pore forming fragment of Clostridium difficile toxin B in complex with VHH 5D
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 | PIXEL |
Collection date | 2019-01-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97920 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 169.820, 169.820, 79.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 147.070 - 2.970 |
R-factor | 0.25973 |
Rwork | 0.259 |
R-free | 0.27381 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6oq5 |
RMSD bond length | 0.003 |
RMSD bond angle | 1.216 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 147.070 | 3.140 |
High resolution limit [Å] | 2.970 | 2.970 |
Rmerge | 1.373 | |
Number of reflections | 14517 | 2286 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 99.9 | |
Redundancy | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate, 18% PEG 4000 |