Table 8 Quality values from AUREMOL and Procheck.
| Â | S1(NMR) | S2(X-ray) | S0 |
|---|---|---|---|
AUREMOL R-fac (whole) | 0.383 | - | 0.353 |
RMSD MolMol N [nm] to mean | 0.21 | 0.13 | 0.07 |
RMSD MolMol bb [nm] pairwise | 0.33 | 0.19 | 0.11 |
Ramachandran m.f. + a. [%] | 91.3 | 74.4 | 88.8 |
Most favored [%] | 72.8 | 36.7 | 72.8 |
Additional allowed [%] | 18.5 | 38.0 | 16.0 |
Generously allowed [%] | 6.2 | 16.5 | 7.4 |
Disallowed [%] | 2.5 | 8.9 | 3.7 |