Table 4. Refinement statistics for the NSF system.
| CDMD | Phenix | Rosetta | Refmac | |
|---|---|---|---|---|
| FSCavg (full map) | 0.765 | 0.706 | 0.748 | 0.479 |
| EMRinger | 1.77 | 0.90 | 1.56 | 0.11 |
| Bond lengths (Å) | 0.022 | 0.007 | 0.021 | 0.020 |
| Bond angles (°) | 2.30 | 1.52 | 2.17 | 3.29 |
| MolProbity | 1.38 | 1.38 | 1.42 | 3.78 |
| All-atom clashscore | 0.13 | 6.93 | 3.26 | 47.1 |
| Ramachandran statistics: | ||||
| Favored (%) | 92.37 | 98.86 | 95.67 | 89.53 |
| Allowed (%) | 6.71 | 1.03 | 3.73 | 7.03 |
| Outliers (%) | 0.92 | 0.11 | 0.60 | 3.44 |
| Poor rotamers (%) | 2.95 | 0.41 | 0.08 | 25.8 |
| CaBLAM flagged (%) | 13.1 | 20.5 | 14.9 | 22.1 |