Table 2:
Summary of MAS NMR restraints and structure statistics
| MAS NMR distance restraints | 13C-13C | 15N-13C | 1H-15N |
|---|---|---|---|
| Unambiguous | 2197 | 763 | 4 |
| Intra-residue | 807 | 505 | 0 |
| Sequential (|i-j|=1) | 119 | 258 | 4 |
| Medium range (1<|i-j|<5) | 303 | 0 | 0 |
| Long range (|i-j|∵5) | 968 | 0 | 0 |
| Ambiguous | 4 | ||
| Total number of restraints assigned | 2968 (21.8 restraints per residue) | ||
| MAS NMR dihedral angle restraints | |||
| Φ | 101 | ||
| Ψ | 101 | ||
|
Structure statistics from 10 lowest energy subunits Violations (mean ± s.d.) | |||
| Distance restraints ≥ 7.2 Å (Å) | 0.144 ± 0.001 | ||
| Dihedral angle restraints ≥ 5° (°) | 1.528 ± 0.137 | ||
| Max. distance restraint violation (Å) | 1.254 | ||
| Max. dihedral angle restraint violation (°) | 17.267 | ||
| Deviations from idealized geometry | |||
| Bond lengths (Å) | 0.008 ± 0.000 | ||
| Bond angles (°) | 0.774 ± 0.012 | ||
| Impropers (°) | 0.516 ± 0.016 | ||
| Average pairwise r.m.s.d. (Å)* | |||
| Backbone (N, Ca, C’) | 0.7 ± 0.2 | ||
| Heavy | 1.2 ± 0.1 | ||
*
Disordered N-terminus (residues 1–9) excluded.