Solution structure of all parallel G-quadruplex formed by the oncogene RET promoter sequence
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 0.2-3mM potassium phosphate; 90% H2O/10% D2O | 90% H2O/10% D2O | 0.1 | 6.8 | ambient | 298 | |
| 2 | 2D 1H-1H TOCSY | 0.2-3mM potassium phosphate; 100% D2O | 100% D2O | 0.1 | 6.8 | ambient | 298 | |
| 3 | 2D 1H-13C HSQC | 0.2-3mM potassium phosphate; 100% D2O | 100% D2O | 0.1 | 6.8 | ambient | 298 | |
| 4 | 2D DQF-COSY | 0.2-3mM potassium phosphate; 100% D2O | 100% D2O | 0.1 | 6.8 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DGSA-distance geometry simulated annealing | X-PLOR NIH | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR NIH | 2.17 | Schwieters, Kuszewski, Tjandra and Clore |
| 2 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 3 | data analysis | Sparky | Goddard | |
| 4 | refinement | X-PLOR NIH | 2.17 | Schwieters, Kuszewski, Tjandra and Clore |
