Extended Data Table 1.
Data collection and structure refinement statistics
| CB1-AM11542 (PDB: 5XRA) |
CB1-AM841 (PDB: 5XR8) |
|
|---|---|---|
| Data collection | ||
| Number of crystals | 16 | 10 |
| Space group | P21221 | P21221 |
| Cell dimensions | ||
| a, b, c (Å) | 66.05, 75.87, 138.90 | 66.83, 73.61, 139.64 |
| Number of reflections measured | 102213 | 84586 |
| Number of unique reflections | 16685 | 13367 |
| Resolution (Å)a | 37.91–2.80 (2.90–2.80) | 49.48–2.95 (3.05–2.95) |
| Rmerge, | 0.101 (0.562) | 0.081 (0.490) |
| Mean I/σ(I) | 10.41 (2.07) | 11.06 (1.97) |
| CC1/2 | 1 (0.62) | 1 (0.54) |
| Completeness (%) | 93.50 (90.03) | 88.18 (77.30) |
| Redundancy | 6.1 (4.8) | 6.3 (3.6) |
| Refinement | ||
| Resolution (Å) | 37.91–2.80 | 49.48–2.95 |
| No. reflections | 16669 | 13329 |
| Rwork / Rfree (%) | 23.4/25.2 | 25.5/27.4 |
| No. atoms | ||
| Protein | 3311 | 3314 |
| Ligand | 28 (AM11542) | 29 (AM841) |
| Lipid and other | 122 | 66 |
| Average B factors (Å2) | ||
| Wilson / Overall | 79.6/90.0 | 110.0/130.7 |
| CB1 | 82.9 | 121.6 |
| Flavodoxin | 105.9 | 152.0 |
| Ligand | 62.4 | 93.3 |
| Lipids and other | 81.9 | 106.3 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | 0.002 |
| Bond angles (°) | 0.732 | 0.484 |
| Ramachandran Plot Statistics (%) | ||
| Favored regions | 97.88 | 96.02 |
| Allowed regions | 2.12 | 3.98 |
| Disallowed regions | 0 | 0 |
a
Values in parentheses are for highest-resolution shell.