Table 1. Cryo-EM processing and modeling statistics.
|
NK1R:SP:Gq:scFv16
(PDB ID: 7P00) |
NK1R:SP:Gs:scFv16
(PDB ID: 7P02) |
|
| Data collection | ||
| Microscope | Titan Krios G3i | Titan Krios G3i |
| Detector | Gatan K3 | Gatan K3 |
| Energy filter slit width (eV) |
20 | 20 |
| Magnification | 130,000 | 130,000 |
| Voltage (kV) | 300 | 300 |
| Electron exposure (e−/Å2) |
62.51 | 63.51 |
| Defocus range (μm) | 0.8–2.4 | 0.8–2.4 |
| Pixel size (Å) | 0.65 | 0.65 |
| Symmetry imposed | C1 | C1 |
| Number of micrographs |
5291 | 6341 |
| Initial particle images (n) |
3,511,990 | 4,227,825 |
| Final particle images (n) |
558,058 | 395,052 |
| Map resolution (Å) | 2.71 | 2.87 |
| FSC threshold | 0.143 | 0.143 |
| Refinement | ||
| Number of atoms | ||
| All | 9110 | 9061 |
| Protein | 8987 | 8957 |
| Ligand | 95 | 76 |
| Cholesterol | 28 | 28 |
| Model validation | ||
| CC map versus model (%) |
79 | 78 |
| RMSD | ||
| Bond lengths (Å) | 0.012 | 0.012 |
| Bond angles (°) | 1.679 | 1.510 |
| Ramachandran statistics |
||
| Favored regions (%) | 96.63 | 95.36 |
| Allowed regions (%) | 3.37 | 4.64 |
| Outliers (%) | 0.00 | 0.00 |
| Rotamer outliers (%) | 0.81 | 1.12 |
| Cβ deviations (%) | 0.74 | 0.00 |
| MolProbity overall score |
4.75 | 6.05 |