Extended Data Table 1.
Cryo-EM data collection, refinement and validation statistics.
| HER2/HER3/NRG1β (EMDB-23916) (PDB 7MN5) | HER2-S310F/HER3/NRG1β (EMDB-23917) (PDB 7MN6) | HER2-S310F/HER3/NRG1β + Herceptin Fab (EMDB-23918) (PDB 7MN8) | |
|---|---|---|---|
|
| |||
| Data collection and processing | |||
| Magnification | 105000x | 105000x | 105000x |
| Voltage (kV) | 300 | 300 | 300 |
| Electron exposure (e–/Å2) | 67 | 67 | 66 |
| Defocus range (μm) | 0.9–2.0 | 0.9–2.0 | 0.9–2.0 |
| Pixel size (Å) | 0.835 | 0.835 | 0.834 |
| Symmetry imposed | C1 | C1 | C1 |
| Initial particle images (no.) | 800000 | 650000 | 1500000 |
| Final particle images (no.) | 123173 | 99755 | 243376 |
| Map resolution (Å) | 2.9 | 3.1 | 3.4 |
| FSC threshold | 0.143 | 0.143 | 0.143 |
| Map resolution range (Å) | 3–7 | 3–7 | 3–9 |
| Refinement | |||
| Initial model used (PDB code) | 60GE, 1M6B, 3U7U | 60GE, 1M6B, 3U7U | 60GE, 1M6B, 3U7U |
| Model resolution (Å) | 3.2 | 3.3 | 3.6 |
| FSC threshold | 0.5 | 0.5 | 0.5 |
| Model resolution range (Å) | |||
| Map sharpening B factor (Å2) | −94.3 | −89.8 | −100.3 |
| Model composition | |||
| Non-hydrogen atoms | 9527 | 9652 | 12949 |
| Protein residues | 1213 | 1227 | 1661 |
| Ligands | 13 | 13 | 13 |
| B factors (Å2) | |||
| Protein | 116.53 | 69.28 | 239.91 |
| Ligand | 74.42 | 123.59 | 131.77 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.012 | 0.012 | 0.013 |
| Bond angles (°) | 1.572 | 1.616 | 1.048 |
| Validation | |||
| MolProbity score | 0.85 | 0.84 | 0.92 |
| Clashscore | 0.38 | 0.27 | 1.70 |
| Poor rotamers (%) | 0 | 0 | 0.14 |
| Ramachandran plot | |||
| Favored (%) | 96.65 | 96.37 | 98.11 |
| Allowed (%) | 3.35 | 3.47 | 1.17 |
| Disallowed (%) | 0 | 0.17 | 0.18 |