2KPD
Structure determination of the top-loop of the conserved 3 terminal secondary structure in the genome of YFV-mutant
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-13C HSQC | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 295 | ||
| 2 | 2D DQF-COSY | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 295 | ||
| 3 | 2D 1H-1H TOCSY | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 295 | ||
| 4 | 2D 1H-1H NOESY | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 295 | ||
| 5 | 2D 1H-31P-COSY | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 295 | ||
| 6 | 2D 1H-1H NOESY | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 283 | ||
| 7 | 2D 1H-1H NOESY | 1-2 mM RNA | 100% D2O | 5.0 | ambient | 283 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| 2 | Bruker | AVANCE | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics, simulated annealing | in water box | X-PLOR NIH |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | all calculated structures submitted |
| Conformers Calculated Total Number | 10 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR NIH | Schwieters, C.D. et al. | |
| 2 | data analysis | CARA | Keller, R. et al. | |
| 3 | collection | TopSpin | Bruker Biospin | |
