SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 7.0 | 322 | |||||
| 2 | COSY | 7.0 | 322 | |||||
| 3 | TOCSY | 7.0 | 322 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | VARIAN UNITY PLUS | 500 |
| 2 | Varian | VARIAN UNITY PLUS | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| RELAXATION MATRIX REFINEMENT | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | ALL CONFORMERS PRESENTED |
| Conformers Calculated Total Number | 6 |
| Conformers Submitted Total Number | 6 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure solution | VNMR | ||
| 3 | structure solution | DUPLEX | ||
| 4 | structure solution | X-PLOR | ||
