Table. 1 Cryo-EM
From: Structural insights into the agonist selectivity of the adenosine A3 receptor
Data collection | NECA-A3R-Gi | Adenosine-A3R-Gi | m6A-A3R-Gi | i6A-A3R-Gi | Namodenoson-A3R-Gi |
|---|---|---|---|---|---|
Microscope | Titan Krios (Thermo Fisher Scientific) | ||||
Voltage (keV) | 300 | ||||
Electron exposure (e-/Å2) | 48 | 48.30 | 50.062 | 49.998 | 50 |
Detector | Gatan K3 Summit camera (Gatan) | ||||
Magnification | ×105,000 | ||||
Defocus range (μm) | −0.8 to −1.6 | ||||
Pixel size (Å/pix) | 0.83 | ||||
Number of movies | 15,004 | 21,810 | 12,663 | 21,300 | 20,609 |
Symmetry | C1 | ||||
Picked particles | 5,682,938 | 6,981,460 | 3,575,189 | 17,004,284 | 15,299,681 |
Final particles | 210,192 | 160,357 | 156,891 | 183,625 | 186,798 |
Map resolution (Å) | 2.86 | 3.27 | 3.19 | 3.28 | 3.20 |
FSC threshold | 0.143 | ||||
Model refinement | |||||
Atoms | 8694 | 8691 | 8692 | 8702 | 8707 |
R.m.s. deviations from ideal | |||||
Bond lengths (Å) | 0.004 | 0.004 | 0.011 | 0.006 | 0.012 |
Bond angles (°) | 0.96 | 0.97 | 1.40 | 1.07 | 1.55 |
Validation | |||||
Clashscore | 8.29 | 10.44 | 8.99 | 10.03 | 9.45 |
Rotamers (%) | 0.00 | 0.00 | 1.57 | 0.2 | 1.99 |
Ramachandran plot | |||||
Favored (%) | 96.22 | 95.94 | 95.39 | 93.64 | 94.38 |
Allowed (%) | 3.69 | 3.97 | 4.24 | 6.36 | 4.70 |
Outlier (%) | 0.09 | 0.09 | 0.37 | 0.00 | 0.92 |
