Table 1.
Complex | |
---|---|
NMR distance and dihedral constraints | |
Distance restraints | |
Total NOE | 5,475 |
Intra-residue | 1,591 |
Inter-residue | 3,884 |
Sequential (|i-j| = 1) | 1,022 |
Non-sequential (|i-j| > 1) | 2,542 |
Intermolecular NOEs | 320 |
hRpn13:hRpn2 | 224 |
hRpn13:Proximal Ub | 72 |
Proximal Ub:Distal Ub | 24 |
Hydrogen bonds | 100 |
Intramolecular | 97 |
Intermolecular | 3 |
hRpn13:hRpn2 | 2 |
hRpn13:Proximal Ub | 1 |
Total dihedral angle restraints | 604 |
Phi | 302 |
Psi | 302 |
Structure statistics | |
Violations (mean and SD) | |
Distance constraints (Å) | 0.051 ± 0.001 |
Dihedral angle constraints (°) | 0.370 ± 0.034 |
Max. dihedral angle violation (> 5 °) | 0 |
Max. distance constraint violation (> 0.5 Å) | 0 |
Deviations from idealized geometry | |
Bond lengths (Å) | 0.003 ± 0.000 |
Bond angles (°) | 0.494 ± 0.014 |
Impropers (°) | 0.350 ± 0.010 |
Average pairwise root-mean-square deviation** (Å) | |
Heavy atoms | 1.00 ± 0.13 |
Backbone | 0.48 ± 0.09 |
Statistics for 15 lowest energy structures without violations for hRpn13 Pru (K21-N130), bound proximal ubiquitin (M1-L71), and hRpn2 (942–951).