1GV6
Solution structure of alfa-L-LNA:DNA duplex
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 0.01 M | 7.0 | 1 atm | 298 | |||
| 2 | DQF-COSY | 0.01 M | 7.0 | 1 atm | 298 | |||
| 3 | TOCSY | 0.01 M | 7.0 | 1 atm | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | AMBER5 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 12 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING 1H,1H- NOES FROM 100MS NOESY AND WATERGATE NOESY EXPERIMENTS. SUGAR TORSION RESTRAINTS WERE DERIVED BY ANALYSIS OF A DQF-COSY SPECTRUM |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | AMBER5 | CASE, DA, KOLLMAN, PA, ET AL. | |
| 2 | structure solution | FELIX | ||
| 3 | structure solution | MARDIGRAS | ||
| 4 | structure solution | AMBER5 | ||
