6F61
NMR structure of purotoxin-6
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 0.6 mM purotoxin-6 | 90% H2O/10% D2O | 0 mM | 3.0 | AMBIENT atm | 303 | Bruker AVANCE 700 |
| 2 | 2D TOCSY | 0.6 mM purotoxin-6 | 90% H2O/10% D2O | 0 mM | 3.0 | AMBIENT atm | 303 | Bruker AVANCE 700 |
| 3 | 2D 1H-13C HSQC | 0.6 mM purotoxin-6 | 90% H2O/10% D2O | 0 mM | 3.0 | AMBIENT atm | 303 | Bruker AVANCE 700 |
| 4 | 2D NOESY | 0.6 mM purotoxin-6 | 100% D2O | 0 mM | 3.0 | ambient Pa | 303 | Bruker AVANCE 700 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (fewest violations) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CYANA | Guntert, Mumenthaler and Wuthrich | |
| 2 | collection | TopSpin | Bruker Biospin | |
| 3 | structure calculation | CYANA | Guntert, Mumenthaler and Wuthrich | |
| 4 | chemical shift assignment | CARA | Keller and Wuthrich | |
| 5 | peak picking | CARA | Keller and Wuthrich | |
| 6 | processing | TopSpin | Bruker Biospin | |
