Table 1 |.
AE1-apo (EMD-26165) (PDB 7TY4) |
AE1-bicarbonate (EMD-26168) (PDB 7TY7) |
AE1-DIDS (EMD-41082) (PDB 8T6V) |
AE1-H2DIDS (EMD-26167) (PDB 7TY6) |
AE1-DEPC (EMD-26171) (PDB 7TYA) |
AE1-dipyridamole (EMD-41081) (PDB 8T6U) |
AE1-NIF (EMD-26169) (PDB 7TY8) |
|
---|---|---|---|---|---|---|---|
Data collection and processing | |||||||
Magnification | 64,000 | 64,000 | 81,000 | 64,000 | 81,000 | 64,000 | 64,000 |
Voltage (kV) | 300 | 300 | 300 | 300 | 300 | 300 | 300 |
Electron exposure (e−/Å2) | 51.85 | 59.99 | 52.09 | 51.85 | 51.18 | 51.69 | 59.99 |
Defocus range (μm) | −0.5 to −1.8 | −0.5 to −1.8 | −0.5 to −1.8 | −0.5 to −1.8 | −0.5 to −1.8 | −0.5 to −1.8 | −0.5 to −1.8 |
Pixel size (Å) | 1.076 | 1.076 | 1.083 | 1.076 | 1.083 | 1.076 | 1.076 |
Symmetry imposed | C2 | C2 | C2 | C2 | C2 | C2 | C2 |
Initial particle images (no.) | 4,357,888 | 2,660,401 | 9,728,456 | 2,460,255 | 3,156,841 | 4,488,247 | 2,977,492 |
Final particle images (no.) | 238,474 | 173,471 | 914,784 | 267,008 | 191,625 | 270,791 | 79,981 |
Map resolution (Å) | 2.99 | 3.37 | 2.95 | 2.98 | 3.07 | 3.13 | 3.18 |
FSC threshold | 0.143 | 0.143 | 0.143 | 0.143 | 0.143 | 0.143 | 0.143 |
Map sharpening B-factor (Å2) | −150.0 | −150.4 | −187.0 | −121.2 | −128.7 | −115.3 | −107.4 |
Local resolution range (Å) | 2.5–45.6 | 3.0–50.5 | 2.5–10.1 | 2.5–40.9 | 2.7–36.2 | 2.7–28.2 | 2.7–51.5 |
Refinement | |||||||
Model composition | |||||||
Non-hydrogen atoms | 8,665 | 8,584 | 8,686 | 8,728 | 8,674 | 8,647 | 8,578 |
Protein residues | 1,032 | 1,034 | 1,032 | 1,032 | 1,028 | 1,032 | 1,032 |
Ligand | 14 | 15 | 16 | 16 | 16 | 16 | 16 |
R.m.s. deviations | |||||||
Bond lengths (Å) | 0.014 | 0.013 | 0.025 | 0.013 | 0.027 | 0.010 | 0.013 |
Bond angles (°) | 1.644 | 1.637 | 1.731 | 1.644 | 1.966 | 1.370 | 1.649 |
Validation | |||||||
Clashscore | 3.32 | 2.71 | 2.36 | 3.03 | 3.28 | 5.69 | 3.10 |
Poor rotamers (%) | 0.49 | 1 | 0.33 | 1.44 | 0.22 | 0 | 1.89 |
Ramachandran plot | |||||||
Favored (%) | 95.02 | 94.43 | 97.07 | 94.82 | 96.05 | 97.07 | 95.8 |
Allowed (%) | 4.98 | 5.57 | 2.93 | 5.18 | 3.95 | 2.73 | 4.20 |
Disallowed (%) | 0 | 0 | 0 | 0 | 0 | 0.2 | 0 |