Table 1.
Name | Hep-P1 | Hep-P2 | Hep-P3 | Hep-P4 | Apo-α-syn fibrilsa |
---|---|---|---|---|---|
PDB ID | 7V4A | - | 7V4B | 7V4C | - |
EMDB ID | EMD-31705 | - | EMD-31706 | EMD-31707 | - |
Data Collection | |||||
Pixel size (Å) | 1.06 | 1.06 | 1.06 | 1.06 | 1.06 |
Defocus Range (μm) | −2.0 to −1.0 | −2.0 to −1.0 | −2.0 to −1.0 | −2.0 to −1.0 | −2.0 to −1.0 |
Voltage (kV) | 300 | 300 | 300 | 300 | 300 |
Camera | K3 | K3 | K3 | K3 | K3 |
Microscope | Titan Krios | Titan Krios | Titan Krios | Titan Krios | Titan Krios |
Exposure time (s/frame) | 0.097 | 0.097 | 0.097 | 0.097 | 0.097 |
Number of frames | 32 | 32 | 32 | 32 | 32 |
Total dose (e-/Å2) | 55 | 55 | 55 | 55 | 55 |
Reconstruction | |||||
Micrographs | 5473 | 5473 | 5473 | 5473 | 2321 |
Manually picked fibrils | 92,118 | 92,118 | 92,118 | 92,118 | 38,830 |
Box size (pixel) | 610 | 686 | 398 | 166 | 288 |
Inter-box distance (Å) | 64.66 | 72.72 | 42.19 | 17.60 | 30.53 |
Segments extracted | 83,529 | 291,650 | 262,084 | 188,227 | 583,394 |
Segments after Class2D | 60,383 | 157,139 | 139,930 | 184,245 | 227,177 |
Segments after Class3D | 20,111 | 94,743 | 47,063 | 38,286 | 105,423 |
Resolution (Å) | 3.2 | - | 3.1 | 3.4 | 3.5 |
Map sharpening B-factor (Å2) | −95.39 | - | −100.97 | −100.35 | −105.77 |
Half pitch (nm) | 64.3 | 140.2 | 161.2 | 28.2 | 128.1 |
Helical rise (Å) | 4.83 | 4.80 | 2.42 | 4.80 | 2.42 |
Helical twist (°) | −1.35 | −0.62 | 179.73 | −3.06 | 179.66 |
Atomic model | |||||
Non-hydrogen atoms | 1653 | - | 3336 | 1287 | - |
Protein residues | 240 | - | 480 | 186 | - |
Ligands | 0 | - | 0 | 0 | - |
r.m.s.d. Bond lengths | 0.002 | - | 0.006 | 0.008 | - |
r.m.s.d. Bond angles | 0.518 | - | 0.597 | 0.745 | - |
All-atom clash score | 8.54 | - | 15.32 | 11.74 | - |
Rotamer outliers | 0.00% | - | 0.00% | 0.00% | - |
Ramachandran Outliers | 0.00% | - | 0.00% | 0.00% | - |
Ramachandran Allowed | 7.89% | - | 13.16% | 20.00% | - |
Ramachandran Favored | 92.11% | - | 86.84% | 80.00% | - |
aSame structure as a previously reported α-syn fibril structure (PDB ID: 6A6B)18 based on the density map.