7UBY
Structure of the GTD domain of Clostridium difficile toxin A in complex with VHH AH3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.118, 131.641, 83.796 |
| Unit cell angles | 90.00, 110.02, 90.00 |
Refinement procedure
| Resolution | 67.570 - 2.100 |
| R-factor | 0.2189 |
| Rwork | 0.218 |
| R-free | 0.26050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6oq5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.983 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.730 | 78.730 | 2.130 |
| High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
| Rmerge | 0.068 | 0.029 | 0.439 |
| Rmeas | 0.081 | 0.035 | 0.527 |
| Rpim | 0.043 | 0.020 | 0.287 |
| Total number of observations | 328473 | 1939 | 14235 |
| Number of reflections | 94481 | 596 | 4486 |
| <I/σ(I)> | 12.5 | 40.5 | 2.3 |
| Completeness [%] | 99.3 | 98.5 | 95.6 |
| Redundancy | 3.5 | 3.3 | 3.2 |
| CC(1/2) | 0.997 | 0.999 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M potassium phosphate, 20% (w/v) PEG 3350 |
