Solution Structure of DNA Sequence GGGTTCAGG Forms GGGG Tetrade and G(C-A) Triad.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY, TOCSY, HNNH-LR, and other | d(GGGTTCAGG) | H2O | 100 mM Nacl, 2 mM phosphate | 6.6 | 1 atm | 273 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | Unity Inova | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing with torsion angle dynamics | Felix | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 18 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 7 (closest to the average) |
| Additional NMR Experimental Information | |
|---|---|
| Details | see primary citation for the discussion of NMR experiments |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | Felix | 98.0 | MSI |
| 2 | structure solution | X-PLOR | 3.81 | A. Brunger |
| 3 | refinement | X-PLOR | 3.81 | A. Brunger |
