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