8YVO
Crystal structure of the C. difficile toxin A CROPs domain fragment 2639-2707 bound to C4.2 nanobody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-17 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 113.804, 42.850, 178.277 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 20.420 - 2.100 |
| R-factor | 0.21128 |
| Rwork | 0.210 |
| R-free | 0.23839 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.001 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.420 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.145 | 0.812 |
| Rmeas | 0.167 | 0.929 |
| Rpim | 0.082 | 0.446 |
| Total number of observations | 197585 | 16485 |
| Number of reflections | 50005 | 3980 |
| <I/σ(I)> | 8.4 | 1.7 |
| Completeness [%] | 98.6 | |
| Redundancy | 4 | 4.1 |
| CC(1/2) | 0.984 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.4M Potassium sodium tartrate tetrahydrate |
