1KX6
NMR solution structure of Glucagon in a lipid-water interphase
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 15mM glucagon; 0.7M [2H38]dodecylphosphocoline; 50mM phosphate buffer | 100% H2O | 50 mM phosphate Na | 6.0 | ambient | 310 | |
| 2 | 2D NOESY | 15mM glucagon; 0.7M [2H38]dodecylphosphocoline; 50mM phosphate buffer | 100% D2O | 50 mM phosphate Na | 6.0 | ambient | 310 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | WM | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | DYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (minimal target function) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | DYANA | 1.5 | Guentert |
| 2 | refinement | DYANA | 1.5 | Guentert |
