Extended Data Table 2.
Cryo-electron microscopy data collection, refinement and validation statistics
| S1+ACE2 Non-uniform Refinement (EMDB-11681) (PDB 7A91) | S1+ACE2 Unmasked Refinement (EMDB-11682) (PDB 7A92) | 2 Erect RBD (EMDB-11683) (PDB 7A93) | 1 ACE2 Bound Closed (EMDB-11684) (PDB 7A94) | 1 ACE2 Bound 1 Erect RBD Clockwise (EMDB-11685) (PDB 7A95) | 1 ACE2 Bound 1 Erect RBD Anticlockwise (EMDB-11686) (PDB 7A96) | 2 ACE2 Bound (EMDB-11687) (PDB 7A97) | 3ACE2 Bound (EMDB-11688) (PDB 7A98) | |
|---|---|---|---|---|---|---|---|---|
| Data collection and processing | ||||||||
| Voltage (kV) | 300 | 300 | 300 | 300 | 300 | 300 | 300 | 300 |
| Electron exposure (e-/Å2) | 54.4 | 54.4 | 54.4 | 54.4 | 54.4 | 54.4 | 54.4 | 54.4 |
| Defocus range (μm) | -1.5 to -3.0 | -1.5 to -3.0 | -1.5 to -3.0 | -1.5 to -3.0 | -1.5 to -3.0 | -1.5 to -3.0 | -1.5 to -3.0 | -1.5 to -3.0 |
| Pixel size (Å) | 1.08 | 1.08 | 1.08 | 1.08 | 1.08 | 1.08 | 1.08 | 1.08 |
| Symmetry imposed | Cl | Cl | Cl | Cl | Cl | Cl | Cl | C3 |
| Final particle images (no.) | 315 k | 315 k | 13 k | 83 k | 40 k | 22 k | 40 k | 8k |
| Map resolution (Å) | 3.6 | 4.2 | 5.9 | 3.9 | 4.3 | 4.8 | 4.4 | 5.4 |
| FSC threshold = 0.143 | ||||||||
| Map resolution range (Å) | 3-5 | 4-6 | 5-9 | 3.5 - 7.5 | 4-8 | 4-8 | 4-8 | 5-8 |
| Refinement | ||||||||
| Initial model used (PDB code) | 6M0J | - | - | - | - | - | - | - |
| Model resolution (Å) | 3.6 | 4.4 | 6.7 | 4.0 | 4.4 | 4.9 | 4.6 | 6.1 |
| FSC threshold = 0.5 | ||||||||
| Map sharpening B factor (Å2) | -98.4 | -158.9 | -169.6 | -75.0 | -64.7 | -66.1 | -67.2 | -119.6 |
| Model composition | ||||||||
| Non-hydrogen atoms | 6915 | 10040 | 25243 | 30475 | 29904 | 29828 | 34645 | 39456 |
| Protein residues | 839 | 1231 | 3221 | 3825 | 3794 | 3783 | 4373 | 4962 |
| Ligands | 10 | 10 | - | 24 | - | - | - | - |
| R.m.s. deviations | ||||||||
| Bond lengths (Å) | 0.006 | 0.007 | 0.004 | 0.007 | 0.004 | 0.004 | 0.004 | 0.004 |
| Bond angles (°) | 0.763 | 1.151 | 0.889 | 0.859 | 0.906 | 0.906 | 0.899 | 0.918 |
| Validation | ||||||||
| MolProbity score | 1.46 | 1.55 | 1.62 | 1.57 | 1.71 | 1.75 | 1.81 | 1.85 |
| Clashscore | 3.25 | 3.71 | 2.83 | 3.38 | 3.48 | 3.88 | 4.85 | 5.71 |
| Poor rotamers (%) | 0.81 | 1.10 | 0.85 | 0.90 | 0.90 | 0.82 | 0.23 | 0.83 |
| Ramachandran plot | ||||||||
| Favored (%) | 95.07 | 94.81 | 90.11 | 93.16 | 88.97 | 89.21 | 89.70 | 90.23 |
| Allowed (%) | 4.93 | 5.02 | 9.89 | 6.84 | 11.03 | 10.77 | 10.28 | 9.65 |
| Disallowed (%) | 0.00 | 0.16 | 0.00 | 0.00 | 0.00 | 0.03 | 0.02 | 0.12 |