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− Å−2) | 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 |