Table 1.
Refinement and model statistics
| Class1 | Class2 | Class3 | DAPT | |
|---|---|---|---|---|
| Data collection | ||||
| Particles | 63,873 | 79,263 | 66,720 | 51,366 |
| Pixel size (Å) | 1.4 | 1.4 | 1.4 | 1.4 |
| Defocus range (μm) | 0.7–3.2 | 0.7–3.2 | 0.7–3.2 | 0.6–2.8 |
| Voltage (kV) | 300 | 300 | 300 | 300 |
| Electron dose (e-/Å−2) | 40 | 40 | 40 | 40 |
| Map features | ||||
| Density TM2 | + | - | - | + |
| Cα-Cα distance D257– D385 (Å) | 9.5 | 12.7 | 9.1 | 8.0 |
| Conformation Pen-2 | in | in | out | in |
| α-helical density | + | + | - | - |
| Model composition | ||||
| Non-hydrogen atoms | 10,443 | 9,922 | 9,916 | 10,543 |
| Protein residues | 1,315 | 1,245 | 1,247 | 1,329 |
| Refinement | ||||
| Resolution (Å) | 4.1 | 4.0 | 4.3 | 4.2 |
| Map sharpening B-factor (Å2) | −100 | −100 | −130 | −130 |
| Fourier Shell Correlation | 0.8236 | 0.8818 | 0.8050 | 0.8602 |
| Rfactor | 0.2917 | 0.3028 | 0.2816 | 0.3426 |
| Rms deviations | ||||
| Bonds (Å) | 0.0112 | 0.0095 | 0.0120 | 0.0093 |
| Angles (°) | 1.7352 | 1.6083 | 1.7922 | 1.6186 |
| Model geometry | ||||
| Molprobity score | 3.17 | 2.89 | 3.16 | 3.22 |
| Clashscore (all atoms) | 17.35 | 9.31 | 13.26 | 18.15 |
| Good rotamers (%) | 89.6 | 90.9 | 86.6 | 88.9 |
| Ramachandran plot | ||||
| Favored (%) | 85.1 | 84.4 | 84.2 | 84.3 |
| Allowed (%) | 10.9 | 12.3 | 11.5 | 11.8 |
| Outliers (%) | 4.0 | 3.3 | 4.3 | 3.9 |