Table 1 Cryo-EM data collection, refinement and validation statistics
From: Systematic metabolite screening identifies functional regulators of the adenosine A2A receptor
A2AR-ZM241385 (EMDB-71131) (PDB 9P1T) | A2AR-ZM241385-PGD2 (EMDB-71130) (PDB 9P1S) | |
|---|---|---|
Data collection and processing | ||
Magnification | 96K | 96K |
Voltage (kV) | 300 | 300 |
Electron exposure (e–/Å2) | 50 | 50 |
Defocus range (μm) | −1.0 to −2.0 | −1.0 to −2.0 |
Pixel size (Å) | 0.808 | 0.808 |
Symmetry imposed | C1 | C1 |
Initial particle images (no.) | 1,362,511 | 1,548,002 |
Final particle images (no.) | 489,705 | 315,882 |
Map resolution (Å) | 3.06 | 3.34 |
FSC threshold | 0.143 | 0.143 |
Map resolution range (Å) | 2.6-3.4 | 2.7-3.7 |
Refinement | ||
Initial model used (PDB code) | 7T32 | 7T32 |
Model resolution (Å) | 3.28 | 3.47 |
FSC threshold | 0.5 | 0.5 |
Model resolution range (Å) | ||
Map sharpening B factor (Å2) | −163.3 | −192.4 |
Model composition | ||
Non-hydrogen atoms | 271 | 271 |
Protein residues | ZMA: 1 | ZMA: 1 |
Ligands | LMN: 1 | LMN: 1 |
B factors (Å2) | ||
Protein | 32.95 | 35.58 |
Ligand | 19.60 | 25.65 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.003 | 0.003 |
Bond angles (°) | 0.528 | 0.696 |
Validation | ||
MolProbity score | 1.29 | 1.42 |
Clashscore | 5.41 | 7.61 |
Poor rotamers (%) | 0.00 | 0.00 |
Ramachandran plot | ||
Favored (%) | 100.00 | 98.11 |
Allowed (%) | 0.00 | 1.89 |
Disallowed (%) | 0.00 | 0.00 |
