Table 1.
NMR and refinement statistics for human REV1 (932–1039)–ubiquitin
| NMR distance and dihedral angle restraintsa | |
|---|---|
| Distance restraints | |
| Total NOE | 5903 |
| Intra-residues | 902 |
| Inter-residues | |
| Sequential (|i − j| = 1) | 851 |
| Medium (|i − j| < 5) | 606 |
| Long-range (|i − j| > 4) | 995 |
| Ambiguous | 2379 |
| Inter-molecular | 170 |
| Hydrogen bond restraints | 57 |
| Total dihedral angle restraints | 183 |
| φ | 90 |
| ψ | 93 |
| Structure statistics | |
| Violations (mean ± SD) | |
| Distance restraints (Å) | 0.11 ± 0.03 |
| Dihedral angle restraints (°) | 2.51 ± 0.75 |
| Max. dihedral angle violation (°) | 3.40 ± 0.46 |
| Max. distance violation (Å) | 0.22 ± 0.01 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.0086 ± 0.0001 |
| Bond angles (°) | 2.09 ± 0.02 |
| Impropers (°) | 0.22 ± 0.01 |
| Average pairwise r.m.s. deviation (Å)b | |
| Heavy | 1.00 ± 0.11 |
| Backbone | 0.35 ± 0.08 |
| Ramachandran plot (%)b | |
| Most favored | 91.1 |
| Additionally allowed | 8.6 |
| Generously allowed | 0.3 |
| Disallowed | 0 |
a
The number of NOEs corresponds to the non-redundant distance restraints generated from all NOESY spectra.
b
The r.m.s. deviations and Ramachandran plot parameters were calculated for residues REV1 (1009–1039) and ubiquitin (1–73) using an ensemble of 20 structures.