SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D 1H-13C NOESY | 8 mg/ml (w/v) RNA:RNA complex | 95% H2O/5% D2O | 20 | 7.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 800 |
| 2 | Varian | UNITYPLUS | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing, torsion angle dynamics | The structures were refined against the SAXS data and NMR-derived restraints. | X-PLOR NIH |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR NIH | Not released | Schwieters, C.D. et al. |
| 2 | refinement | X-PLOR NIH | Not released | Schwieters, C.D. et al. |
| 3 | refinement | Define_the_intermolecular_interface_using_SAXS_data | Wang, J. et al. | |
| 4 | structure solution | Define_the_intermolecular_interface_using_SAXS_data | Wang, J. et al. | |
