Table 1.
NMR and Refinement Statistics for the Nrd1p CID-Trf4p NIM Complex
| Nrd1p CID-Trf4p NIM Complex | |
|---|---|
| NMR Distance and Dihedral Constraints | |
| Distance restraints | |
| Total NOEs | 2,440 |
| Intraresidue |i-j| = 0 | 602 |
| Sequential |i-j| = 1 | 661 |
| Medium range 1 < |i-j| < 5 | 700 |
| Long range |i-j| ≥ 5 | 477 |
| Hydrogen bonds | |
| Intermolecular distance restraints | 54 |
| Total dihedral angle restraintsa | 222 |
| Structure Statisticsb | |
| Violations (mean and SD) | |
| Number of distance restraint violations >0.5 Å | 0 |
| Number of dihedral angle restraint violations >15° | 0 |
| Maximum dihedral angle restraint violation (°) | 6.67 ± 1.89 |
| Maximum distance constraint violation (Å) | 0.34 ± 0.12 |
| Deviations from idealized geometryb | |
| Bond lengths (Å) | 0.0035 ± 0.0001 |
| Bond angles (°) | 1.6 ± 0.02 |
| Average pairwise r.m.s.d (Å)b | |
| Complex | |
| Heavy atoms | 1.17 ± 0.08 |
| Backbone atoms | 0.72 ± 0.10 |
| Ramachandran plot statisticsc | |
| Residues in most-favored regions (%) | 72.6 |
| Residues in additionally allowed regions (%) | 26.2 |
| Residues in generously allowed regions (%) | 0.6 |
| Residues in disallowed regions (%) | 0.6 |
a
α-helical dihedral angle restraints imposed for the backbone based on the CSI.
b
Calculated for an ensemble of the 20 lowest-energy structures.
c
Based on PROCHECK analysis (Laskowski et al., 1996).