Table 1. Cryo-EM data collection, refinement, and validation statistics.
| H46R fibril (EMD-35460, PDB 8IHV) | G85R fibril (EMD-35459, PDB 8IHU) | |
|---|---|---|
| Data collection and processing | ||
| Magnification | 105,000 | 105,000 |
| Voltage (kV) | 300 | 300 |
| Camera | Gatan K3 (Krios G4) | Gatan K3 (Krios G4) |
| Frame exposure time (s) | 0.08 | 0.08 |
| Movie frames (n) | 40 | 40 |
| Electron exposure (e−/Å2) | 60 | 60 |
| Defocus range (μm) | −2.0 to −1.2 | −2.0 to −1.2 |
| Pixel size (Å) | 0.84 | 0.84 |
| Symmetry imposed | C 1 | C 1 |
| Box size (pixel) | 400 | 400 |
| Interbox distance (Å) | 33.6 | 33.6 |
| Micrographs collected (n) | 8,680 | 6,366 |
| Segments extracted (n) | 1,062,069 | 626,757 |
| Segments after Class2D (n) | 235,369 | 305,672 |
| Segments after Class3D (n) | 59,857 | 53,707 |
| Map resolution (Å) | 3.11 | 2.97 |
| FSC threshold | 0.143 | 0.143 |
| Map resolution range (Å) | 3.01–4.83 | 2.87–4.79 |
| Refinement | ||
| Initial model used | De novo | De novo |
| Model resolution (Å) | 3.11 | 2.97 |
| FSC threshold | 0.143 | 0.143 |
| Model resolution range (Å) | 3.11 | 2.97 |
| Map sharpening B factor (Å2) | −78.38 | −82.56 |
| Model composition | ||
| Nonhydrogen atoms | 1,446 | 1,527 |
| Protein residues | 207 | 216 |
| Ligands | 0 | 0 |
| B factors (Å2) | ||
| Protein | 81.95 | 52.90 |
| RMSDs | ||
| Bond lengths (Å) | 0.005 | 0.005 |
| Bond angles (°) | 0.722 | 0.713 |
| Validation | ||
| MolProbity score | 2.39 | 2.25 |
| Clashscore | 12.57 | 9.90 |
| Poor rotamers (%) | 0 | 0 |
| Ramachandran plot | ||
| Favored (%) | 76.12 | 80.00 |
| Allowed (%) | 23.88 | 20.00 |
| Disallowed (%) | 0 | 0 |
| Model versus data (CC) | 0.84 | 0.82 |