SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 80 mM NaCl; 10 mM phosphate, pH 7 | D2O | 80 mM | 7 | ambient | 310.15 | |
| 2 | DQF-COSY | 80 mM NaCl; 10 mM phosphate, pH 7 | D2O | 80 mM | 7 | ambient | 310.15 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| Simulated annealing; Energy minimization | The structures are based on 88 NOE distance restraints, 11 hydrogen-bond restraints for Watson-Crick pairs, and loosely restrained torsion angles. 22 of 25 structures were used to generate the minimized, averaged structure. G4 was restrained to the syn glycosidic conformation | VNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy. First model represents the minimized averaged structure |
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 26 |
| Representative Model | 1 (minimized average structure) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 5.2 | Varian |
| 2 | data analysis | Felix | 95.0 | Biosym |
| 3 | structure solution | Discover | 95.0 | Biosym |
| 4 | refinement | Discover | 95.0 | Biosym |
