Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D TOCSY | 0.9 mM SmIIIA, 95% H2O, 5% D2O | 95% H2O/5% D2O | 4.7 | ambient | 278 | ||
| 2 | 2D NOESY | 0.9 mM SmIIIA, 95% H2O, 5% D2O | 95% H2O/5% D2O | 4.7 | ambient | 278 | ||
| 3 | DQF-COSY | 0.9 mM SmIIIA, 95% H2O, 5% D2O | 95% H2O/5% D2O | 4.7 | ambient | 278 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 500 |
| 2 | Bruker | DRX | 600 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 13 (closest to the average) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.5 | Bruker Biospin |
| 2 | data analysis | XEASY | 1.3.13 | Bartels |
| 3 | structure solution | CYANA | 1.0.3 | Guentert |
| 4 | structure solution | X-PLOR | Xplor-NIH | Schweiters |
| 5 | refinement | X-PLOR | Xplor-NIH | Schweiters |
