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. Author manuscript; available in PMC: 2021 Feb 11.
Published in final edited form as: Nature. 2020 Sep 17;588(7837):327–330. doi: 10.1038/s41586-020-2772-0

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