1KUW
High-Resolution Structure and Localization of Amylin Nucleation Site in Detergent Micelles
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 20mM PBS buffer, 100mM d25-SDS | water | 4 | 1 atm | 298 | ||
| 2 | DQF-COSY | 20mM PBS buffer, 100mM d25-SDS | water | 4 | 1 atm | 298 | ||
| 3 | 2D-TOCSY | 20mM PBS buffer, 100mM d25-SDS | water | 4 | 1 atm | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 39 |
| Representative Model | 6 (n/a) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR | 3.851 | Brunger |
| 2 | data analysis | Sparky | 1.1 | Gottard |
| 3 | processing | NMRPipe | 1.1 | Delaglio |
| 4 | refinement | X-PLOR | 3.851 | Brunger et. al. |
