Table 3. Cryo-electron microscopy data collection, refinement, and validation statistics for the TB47-bound hybrid supercomplex.
| State | TB47 |
|---|---|
| Data collection | |
| Microscope | Titan Krios |
| Voltage (kV) | 300 |
| Magnification | 29,000× |
| Detector | Gatan K3 |
| Data collection software | SerialEM |
| Electron exposure (e–/Å2) | 60 |
| Defocus range (μm) | –1.2 to –1.8 |
| Pixel size (Å) | 0.82 |
| Data processing | |
| Number of micrographs | 2698 |
| Final particle images | 169,988 |
| Symmetry imposed | C1 |
| Map resolution (Å)Fourier shell correlation (FSC) 0.143 threshold | |
| 2.93 | |
| Refinement | |
| Initial model used (PDB code) | 6ADQ |
| Map sharpening B factor (Å2)d FSC model (0.143) masked | –97.52.9 |
| Map correlation coefficient | 0.90 |
| Mean CC for ligands | 0.79 |
| Model composition | |
| Non-hydrogen atoms | 42,679 |
| Protein residues | 5119 |
| Ligands | |
| 9Y0: 2 | |
| CDL: 17 | |
| 9YF: 4 | |
| HEA: 4 | |
| HEC: 4 | |
| MQ9: 8 | |
| HEM: 4 | |
| PLM: 4 | |
| CU: 8 | |
| FES: 2 | |
| HV0 (TB47): 2 | |
| Root mean squared deviations | |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 0.739 |
| Validation | |
| MolProbity score | 1.87 |
| Clashscore | 8.75 |
| Poor rotamers (%) | 6.23 |
| Ramachandran plot | |
| Favored (%) | 92.39 |
| Allowed (%) | 7.25 |
| Outliers (%) | 0.36 |
| Cβ outliers (%) | 0.00 |