8YVJ
Crystal structure of the C. difficile toxin A CROPs domain fragment 2592-2710 bound to H5.2 nanobody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-17 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.156, 71.739, 93.405 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.350 - 1.650 |
| R-factor | 0.15108 |
| Rwork | 0.149 |
| R-free | 0.19836 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.040 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.350 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.030 | 0.107 |
| Rmeas | 0.032 | 0.121 |
| Rpim | 0.009 | 0.055 |
| Total number of observations | 294560 | 5072 |
| Number of reflections | 26488 | 1095 |
| <I/σ(I)> | 54.1 | 12.4 |
| Completeness [%] | 98.5 | |
| Redundancy | 11.1 | 4.6 |
| CC(1/2) | 1.000 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 288 | 0.2M Ammonium phosphate dibasic, pH 8.0, 20% PEG 3350 |
