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. 2023 Oct 30;30(12):1936–1946. doi: 10.1038/s41594-023-01133-1

Table 2.

Cryo-EM data collection, refinement and validation statistics

α5V3-DZP (EMDB-16058), (PDB 8BHK) α5V3-APO (EMDB-16005), (PDB 8BEJ) α5V3-DMCM (EMDB-16060), (PDB 8BHM) α5V3-RO4938581 (EMDB-16068), (PDB 8BHS) α5V3-L655708 (EMDB-16063), (PDB 8BHO) α5V3-RO154513 (EMDB-16051), (PDB 8BHB)
Data collection and processing
Magnification 130,000 130,000 92,000 130,000 130,000 130,000
Voltage (kV) 300 300 200 300 300 300
Electron exposure (e Å2) 57.8 49.27 23.1 55.15 54.24 53.28
Defocus range (μm) 0.6–2.7 0.8–2.2 1.2–2.7 1.0–2.5 1.0–2.5 1.0–2.5
Pixel size (Å) 1.07 0.652 0.106 1.05 1.05 0.652
Symmetry imposed C5 C5 C5 C5 C5 C5
Initial particle images (no.) 133,526 39,108 181,736 215,822 194,357 42,434
Final particle images (no.) 47,605 9,041 53,252 43,386 21,342 18,185
Map resolution (Å) 3.3 3.28 2.95 3.24 2.93 2.54
FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 3.2–4.6 3.1–4.4 3.1–3.7 2.8–4.4 2.7–4.6 2.4–3.8
Refinement
Initial model used (PDB code) 4COF 4COF 4COF 4COF 4COF 4COF
Model resolution (Å) 3.3 3.28 2.95 3.24 2.93 2.54
FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143
Model resolution range (Å) 3.2–4.6 3.1–4.4 3.1–3.7 2.8–4.4 2.7–4.6 2.4–3.8
Model composition
Non-hydrogen atoms 13,750 13,650 13,765 13,755 13,775 13,835
Protein residues 1,680 1,680 1,680 1,680 1,680 1,680
Ligands 2 1 2 2 2 2
B factors (Å2)
Protein 52 131 134 109 108 80
Ligand 52, 48 144, N/A 140, 119 122, 124 117, 87 96, 67
R.m.s. deviations
Bond lengths (Å) 0.001 0.002 0.001 0.002 0.001 0.002
Bond angles (°) 0.345 0.355 0.335 0.379 0.360 0.355
Validation
MolProbity score 0.88 1.07 0.96 1.32 1.05 1.00
Clashscore 1.47 2.58 1.98 5.87 2.60 2.27
Poor rotamers (%) 0.00 0.00 0.00 0.00 0.00 0.00
Ramachandran plot
Favored (%) 98.20 97.9 99.1 98.80 99.10 99.10
Allowed (%) 1.80 2.10 0.90 1.20 0.90 0.90
Disallowed (%) 0.00 0.00 0.00 0.00 0.00 0.00