Table 2.
MicroED structure of A2AAR determined from microcrystals in LCPa
| A2AAR | |
|---|---|
| Data collection | |
| Space group | C 2 2 21 |
| Cell dimensions | |
| a, b, c (Å) | 39.08, 177.51, 139.29 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 2.0 (2.07−2.0) |
| Rmerge | 0.3251 (0.464) |
| <I / σI> | 4.31 (1.29) |
| Completeness (%) | 72.49 (16.12) |
| Redundancy | 4.7 (1.7) |
| Refinement | |
| Resolution (Å) | 2.0 |
| No. reflections | 24,440 |
| Rwork / Rfree | 0.2202/ 0.2792 |
| No. atoms | |
| Protein | 3012 |
| Ligand/ion | 1070 |
| Water | 174 |
| B-factors | 23.1 |
| Protein | 22.62 |
| Ligand/ion | 28.81 |
| Water | 16.99 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.027 |
| Bond angles (°) | 0.91 |
aA2AAR was derived from 3 crystal lamellae – 2 collected on a Titan Krios using a Falcon 4 detector, and 1 using a Talos Arctica using a CetaD detector.