6OQ8
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
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 | 2017-04-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97919 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 114.711, 114.711, 301.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 107.190 - 2.200 |
R-factor | 0.19853 |
Rwork | 0.197 |
R-free | 0.21989 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.898 |
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] | 107.190 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.630 |
Number of reflections | 112567 | 9996 |
<I/σ(I)> | 19.2 | |
Completeness [%] | 99.6 | |
Redundancy | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M Tris, pH 8.8, 0.4 M ammonium sulfate, and 24% PEG 3350 |