Table 2. R free values for models after molecular replacement and after the automated CRANK2 pipelines.
| Molecular-replacement solution† | Substructure-only pipeline‡ | Rebuild pipeline‡ | |
|---|---|---|---|
| Data set 1 | 49.8 | 32.6 | 29.8 |
| Data set 2 | 53.7 | 28.9 | 32.3 |
| GPCR ECR–Mb | 48.6 | 39.1 | 38.4 |
| AAA-ATPase | 47.5 | 39.0 | 40.9 |
| F1-ATPase | 46.5 | 34.8 | 33.8 |
| SecYEG–SecA | 51.8 | 39.9 | 39.6 |
The R free values after REFMAC5 ‘jelly-body’ refinement of the molecular-replacement solution using 50, 75 or 100 refinement cycles, whichever provided the best value.
The R free values after REFMAC5 ‘jelly-body’ refinement of the model output by CRANK2 using an additional 0, 25 or 50 refinement cycles, whichever provided the best value.