2KM9
Omega conotoxin-FVIA
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 7mM omega conotoxin-FVIA-1 | 90% H2O/10% D2O | 3.5 | ambient | 298 | ||
| 2 | 2D DQF-COSY | 7mM omega conotoxin-FVIA-1 | 90% H2O/10% D2O | 3.5 | ambient | 298 | ||
| 3 | 2D 1H-1H NOESY | 7mM omega conotoxin-FVIA-1 | 90% H2O/10% D2O | 3.5 | ambient | 298 | ||
| 4 | PE-COSY | 7mM omega conotoxin-FVIA-1 | 90% H2O/10% D2O | 3.5 | ambient | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 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 | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | Brunger A. T. et.al. | |
