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. Author manuscript; available in PMC: 2021 Feb 12.
Published in final edited form as: Cell Host Microbe. 2020 Feb 5;27(2):249–261.e5. doi: 10.1016/j.chom.2020.01.003

Table 1. Cryo-EM data collection, refinement and validation statistics.

The Table shows cryo-EM data collection, reconstruction, and model validation results and values. See also Figures S2S4.

Mature virion (CA16-M) A-particle (CA16-A) Empty particle (CA16-E) CA16-M:18A7 CA16-M:18A7-local CA16-A:18A7 CA16-E:18A7 CA16-M:14B10 CA16-M:NA9D7 CA16-M:18A7:14B10:NA9D7
Data collection and processing
Magnification x93,000 x93,000 x93,000 x130,000 x130,000 x130,000 x130,000 x93,000 x93,000 x93,000
Voltage (kV) 300 300 300 300 300 300 300 300 300 300
Electron exposure (e−/Å2) 40 40 40 56 56 56 56 40 40 40
Defocus range (μm) −0.5 to −4.2 −0.5 to −4.2 −0.4 to −5.5 −0.3 to −2.9 −0.3 to −2.9 −0.3 to −2.9 −0.3 to −2.9 −0.4 to −4.2 −0.5 to −4.7 −0.5 to −4.6
Pixel size (Å) 1.128 1.128 1.128 1.307 1.307 1.307 1.307 1.128 1.120 1.120
Symmetry imposed I2 I2 I2 I2 C1 I2 I2 I2 I2 I2
Initial particle images (no.) 29,497 29,497 14,507 101,235 726,696 101,235 101,235 38,833 52,713 38,967
Final particle images (no.) 17,781 3,409 11,574 60,558 57,409 10,246 10,406 10,580 45,235 27,819
Map resolution (Å) 3.56 3.33 3.43 2.65 3.67 3.07 3.13 3.30 3.06 3.78
 FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 3.0–5.0 3.0–5.0 3.0–5.0 2.5–4.5 3.0–5.0 2.5–4.5 2.5–4.5 2.5–4.5 3–5.0 3.0–5.0
Refinement
Initial model used (PDB code) 5C4W 4JGY 5C9A 5C4W 5C4W 4JGY 5C9A 5C4W 5C4W n/a
Model resolution (Å) 3.72 3.51 3.53 2.75 3.71 3.17 3.23 3.40 3.32 n/a
 FSC threshold 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
Model resolution range (Å) 3.0–5.0 3.0–5.0 3.0–5.0 2.5–4.5 3.0–5.0 2.5–4.5 2.5–4.5 2.5–4.5 3–5.0
Map sharpening B factor (Å2) −148.4 −170.8 −204.7 −124.7 −90.0 −116.4 −126.7 −173.5 −90.0 −220.7
Model composition n/a
 Non-hydrogen atoms 6,444 5,087 4,972 6,433 10,754 5,072 49,62 8,125 8,181
 Protein residues 827 648 636 826 1,329 646 635 1,045 1,055
 Ligands 1 0 0 1 5 0 0 1 1
B factors (Å2)
 Protein 98.01 101.06 93.84 35.93 75.63 54.81 60.51 71.06 83.62
 Ligand 105.89 36.93 65.80 65.93 57.87
R.m.s. deviations
 Bond lengths (Å) 0.006 0.006 0.006 0.006 0.007 0.006 0.006 0.006 0.009
 Bond angles (°) 0.780 0.709 0.804 0.798 1.124 0.765 0.735 0.868 0.869
Validation
 MolProbity score 1.16 1.38 1.51 1.28 2.19 1.16 1.59 1.60 1.41
 Clashscore 2.98 3.27 3.24 3.15 9.36 2.29 3.86 4.18 3.28
 Poor rotamers (%) 0.71 0.18 0.36 1.14 2.05 0.72 0.18 0.34 0.67
Ramachandran plot
 Favored (%) 97.67 96.20 94.19 97.30 92.72 97.14 93.70 93.96 95.86
 Allowed (%) 2.33 3.80 5.81 2.58 6.74 2.7 6.30 5.94 4.14
 Disallowed (%) 0.00 0.00 0.00 0.12 0.54 0.16 0.00 0.10 0.00