Table 1.
NMR and refinement statistics for CBP
| NMR distance and dihedral constraints | per monomer |
|---|---|
| Distance constraints | |
| Total NOE | 2679 |
| Intra-residue | 508 |
| Inter-residue | 1475 |
| Sequential (∣i − j∣=1) | 416 |
| Medium-range (∣i −j∣<4) | 297 |
| Long-range (∣i−j∣>5) | 381 |
| Intermolecular | 251 |
| Hydrogen bonds | 55 |
| Dihedral angle restraints | 90 |
| Structure statistics | |
| Violations (mean and s.d.) | |
| Distance constraints (Å) | 0.288 ± 0.002 |
| Dihedral angle constraints (°) | 1.91 ± 0.06 |
| Max. dihedral angle violation (°) | 7.43 |
| Max. distance constraint violation (Å) | 0.43 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.008 ± 0.0001 |
| Bond angles (°) | 1.1 ± 0.008 |
| Impropers (°) | 1.2 ± 0.01 |
| Average pairwise rms deviationa (Å) | |
| Heavy atoms | 1.12 ± 0.01 |
| Backbone | 0.61 ± 0.20 |
| Ramachandran plot (%)b | |
| Most favored regions | 71.1 |
| Additionally allowed regions | 14.8 |
| Generously allowed regions | 8.9 |
| Disallowed regions | 5.2 |
a
Pairwise r.m.s. deviation was calculated among 20 refined structures using ARIA2.2 (Rieping et al., 2007).
b
Calculated with PROCHECK-NMR (Laskowski et al., 1993).