Table S1.
Crystallographic data collection and refinement statistics
| KRAS–PDEδ: Crystal form I | KRAS–PDEδ: Crystal form II | |
| Data collection | ||
| Space group | P21 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 58.4, 70.7, 94.4 | 58.1, 70.0, 84.5 |
| α, β, γ (°) | 90.0, 92.4, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 50–2.0 (2.1–2.0)* | 50–1.9 (2.0–1.9)* |
| Rmerge (%) | 5.0 (65.7) | 6.2 (82.7) |
| Average I/σ(I) | 21.6 (3.2) | 19.6 (3.3) |
| Completeness (%) | 99.3 (99.2) | 99.8 (99.0) |
| Redundancy | 6.2 (5.7) | 7.2 (7.0) |
| Refinement | ||
| Resolution (Å) | 50–2.0 | 50.0–1.9 |
| No. of reflections | 51,556 | 26,207 |
| Rwork/Rfree | 0.201/0.248 | 0.224/0.262 |
| No. of atoms | ||
| Protein | 5,172 | 2,688 |
| Ligand/ion | 94 | 55 |
| Water | 160 | 39 |
| B factors (Å2) | ||
| Protein | 49.1 | 37.6 |
| Ligand/ion | 47.1 | 43.8 |
| Water | 52.5 | 33.3 |
| rmsds | ||
| Bond lengths (Å) | 0.008 | 0.008 |
| Bond angles (°) | 1.012 | 1.297 |
*
Values in parentheses are for the highest-resolution shell. One crystal was used to collect each dataset.