Table 1.
NMR and refinement statistics of the (DMA-135)-SLII complex.
| SLII2231-DMA-135 | |
|---|---|
| NMR distance and dihedral constraints | |
| Distance restraints | |
| Total NOE | 506 |
| Intra-residue | 162 |
| Inter-residue | 344 |
| Sequential (|i – j | = 1) | 245 |
| Nonsequential (|i – j | > 1) | 6 |
| Hydrogen bonds | 75 |
| CH RDCs (base pair only) | 23 |
| Qfree (%) | |
| Intermolecular (SLII to DMA-135) | 29 |
| Total dihedral angle restraints | |
| Nucleic acid | |
| Base pair | N/A |
| Sugar pucker | 155 |
| Backbone | N/A |
| Based on A-form geometry | |
| Structure statistics | |
| Violations (mean and s.d.) | |
| Distance constraints (>0.4 Å) | 1.30 ± 1.41 |
| Dihedral angle constraints (>5°) | N/A |
| Max. dihedral angle violation (>5°) | N/A |
| Max. distance constraint violation (Å) | 0.40 ± 0.38 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.01112 ± 0.0007 |
| Bond angles (°) | 2.495 ± 0.018 |
| Impropers (°) | N/A |
| Average pairwise r.m.s. deviationa (Å) | |
| RNA | |
| Heavy | 3.26 ± 1.92 |
| Backboneb | 3.25 ± 2.08 |
| Upper helix (12–20 & 27–35) | |
| Lower helix (1–5 & 35–41) | |
| Complex | 0.56 ± 0.11 |
| All complex heavy (C, N, O, P)c | 3.54 ± 1.86 |
aStatistics were calculated and averaged over an ensemble of the 10 lowest energy structures.
bPairwise r.m.s deviation for backbone was calculated with alignment of C3’, C4’, C5’, O3’, O5’, and P atoms.
cPairwise r.m.s deviation for complex was aligned with base pair region.