1Q2T
Solution structure of d(5mCCTCTCC)4
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 10mM DNA strand | H2O 90%, D2O 10% | No added counter-ions | 4.4 | ambient | 273 | |
| 2 | 2D TOCSY | 10mM DNA strand | H2O 90%, D2O 10% | No added counter-ions | 4.4 | ambient | 273 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | the structure is based on a total of 172 restraints. 30 base-pairing restraints from hydrogen bonds, 78 NOE-distance restraints and 36 repulsive restraints reflecting the absence of NOE | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | back calculated data agree with experimental NOESY spectrum |
| Conformers Calculated Total Number | 10 |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR | 3.851 | Brunger |
| 2 | refinement | X-PLOR | 3.851 | Brunger |
