2JN5
Solution Structure of a Dodecapeptide from Alpha-Synuclein Bound with Synphilin-1
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 1 mM entity, 20 mM sodium phosphate, 50 mM sodium chloride, 0.1 mM Synphilin-1 | 90% H2O/10% D2O | 6.5 | ambient | 298 | ||
| 2 | 2D 1H-1H NOESY | 1 mM entity, 20 mM sodium phosphate, 50 mM sodium chloride, 0.1 mM Synphilin-1 | 90% H2O/10% D2O | 6.5 | ambient | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | NMRDraw | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 250 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRDraw | 2.3 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
| 2 | peak picking | Sparky | 3.110 | Goddard |
| 3 | chemical shift assignment | Sparky | 3.110 | Goddard |
| 4 | data analysis | ARIA | 2.0 | Linge, O'Donoghue and Nilges |
| 5 | structure solution | ARIA | 2.0 | Linge, O'Donoghue and Nilges |
| 6 | refinement | ARIA | 2.0 | Linge, O'Donoghue and Nilges |
