1RDE
NMR structure of the thrombin-binding DNA aptamer stabilized by Sr2+
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1mM strand, natural abundant, no buffer | 100% D2O | >3mM | 4.7 | ambient | 288 | |
| 2 | 2D TOCSY | 1mM strand, natural abundant, no buffer | 100% D2O | >3mM | 4.7 | ambient | 288 | |
| 3 | E-COSY | 1mM strand, natural abundant, no buffer | 100% D2O | >3mM | 4.7 | ambient | 288 | |
| 4 | P31-H1 COSY | 1mM strand, natural abundant, no buffer | 100% D2O | >3mM | 4.7 | ambient | 288 | |
| 5 | ROESY | 1mM strand, natural abundant, no buffer | 100% D2O | >3mM | 4.7 | ambient | 288 | |
| 6 | 2D NOESY | 1mM strand, natural abundant, no buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | >3mM | 4.7 | ambient | 288 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | all calculated structures submitted |
| Conformers Calculated Total Number | 11 |
| Conformers Submitted Total Number | 11 |
| 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 | CNS | 1.1 | Brunger, A.T. |
| 2 | refinement | CNS | Brunger, A.T. | |
