Table 1.
Cryo-EM data collection, refinement, and validation statistics
| Histamine-H4R-Gq complex (EMDB-33785) (PDB 7YFC) | Imetit-H4R-Gq complex (EMDB-33786) (PDB 7YFD) | |
|---|---|---|
| Data collection and processing | ||
| Magnification | 81,000 | 81,000 |
| Voltage (kV) | 300 | 300 |
| Electron exposure (e–/Å2) | 50 | 50 |
| Defocus range (μm) | −0.8 to −2.0 | −0.8 to −2.0 |
| Pixel size (Å) | 0.88 | 0.88 |
| Symmetry imposed | C1 | C1 |
| Initial particle images (no.) | 1,823,691 | 2,410,519 |
| Final particle images (no.) | 180,728 | 628,467 |
| Map resolution (Å) | 3.0 | 3.1 |
| FSC threshold | 0.143 | 0.143 |
| Refinement | ||
| Initial model used (PDB code) | 7DFL, 7F9Z | 7DFL, 7F9Z |
| Model resolution (Å) | 3.3 | 3.2 |
| FSC threshold | 0.5 | 0.5 |
| Map sharpening B factor (Å2) | −108.22 | −134.07 |
| Model composition | ||
| Non-hydrogen atoms | 9882 | 9934 |
| Protein residues | 1262 | 1260 |
| Ligands | HSM; 1, CLR: 1 | IME: 1, CLR: 2 |
| B factors (Å2) | ||
| Protein | 58.9 | 37.7 |
| Ligand | 64.3 | 64.9 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.005 | 0.003 |
| Bond angles (°) | 0.656 | 0.534 |
| Validation | ||
| MolProbity score | 1.44 | 1.57 |
| Clashscore | 5.92 | 7.16 |
| Poor rotamers (%) | 0.09 | 0.19 |
| Ramachandran plot | ||
| Favored (%) | 97.42 | 97.01 |
| Allowed (%) | 2.58 | 2.99 |
| Disallowed (%) | 0 | 0 |