Table 1.
Statistics of CDE1GG and CDE2GG NMR structure calculations. Statistics and accession numbers derived from structures obtained with ARIA/CNS and when additionally refined with Xplor-NIH
| NMR statistics | ||
| PDB ID (CNS) | 6XXB | 6XXA |
| PDB ID (Xplor-NIH) | 6XWW | 6XWJ |
| RNA name | CDE1GG | CDE2GG |
| NOE restraints | ||
| unambiguous: | ||
| intraresidual | 144 | 298 |
| sequential | 59 | 134 |
| medium range | 5 | 6 |
| long range | 14 | 28 |
| ambiguous: | ||
| intraresidual | 0 | 6 |
| sequential | 0 | 9 |
| medium range | 0 | 1 |
| long range | 0 | 2 |
| Base pair restraints | ||
| Planarity | 7 | 9 |
| H-bond | 32 | 46 |
| Dihedral restraints | ||
| sugar pucker | 95 | 105 |
| backbone | 117 | 94 |
| glycosidic bond | 16 | 21 |
| Violations (Xplor-NIH) | ||
| Distance > 0.5 Å | 1 | 2 |
| Dihedral > 10° | 0 | 1 |
| RMSDs/Å (CNS) | ||
| Stem (without terminal) | 1.1 | 1.6 |
| Loop | 2.2 | 2.3 |
| All atom | 1.7 | 1.7 |
| RMSDs/Å (Xplor-NIH) | ||
| Stem (without terminal) | 0.17 | 0.27 |
| Loop | 0.39 | 0.21 |
| All atom | 0.33 | 0.32 |