Table 1.
NMR and refinement statistics used for the structure calculation of the MCo-PMI - Hdm2 complex
| MCo-PMI | Hdm2 | |
|---|---|---|
| NMR distance and dihedral constraints | ||
| Distance restraints | ||
| Total NOE | 357 | 648 |
| Intra-residue | 117 | 226 |
| Inter-residue | 240 | 422 |
| Sequential (|i – j| = 1) | 114 | 206 |
| Nonsequential (|i – j| > 1) | 126 | 216 |
| Hydrogen bonds | 22 | 61 |
| MCo-PMI Hdm2 intermolecular | 35 | |
| Total dihedral angle restraints | 91 | 159 |
| ϕ | 45 | 80 |
| ψ | 46 | 79 |
| Structure statistics | ||
| Violations (mean and s.d.) | ||
| Distance constraints (Å) | 0.0153 +/−0.0005 | 0.0175 +/−0.0024 |
| Dihedral angle constraints (°) | 0.5494 +/− 0.3491 | |
| Max. dihedral angle violation (°) | 10.3° +/−2.22 | |
| Max. distance constraint violation (Å) | 1.03 +/−0.52 | |
| Deviations from idealized geometry | ||
| Bond lengths (Å) | 0.001 | 0.001 |
| Bond angles (°) | 0.2 | 0.2 |
| Average pairwise r.m.s. deviation* (Å) | ||
| Heavy | 1.67 +/−0.21 | |
| Backbone | 1.07 +/−0.14 | |
*
Compared to first structure r.m.s deviation was calculated for 10 refined structures.