2H9X
NMR structure for the CgNa toxin from the sea anemone Condylactis gigantea
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D TOCSY | 1.4mM CgNa; 90% H2O, 10% D2O | 90% H2O/10% D2O | 7 | AMBIENT | 298 | ||
| 2 | 2D NOESY | 1.4mM CgNa; 90% H2O, 10% D2O | 90% H2O/10% D2O | 7 | AMBIENT | 298 | ||
| 3 | 2D TOCSY | 1.4mM CgNa; D2O | D2O | 7 | AMBIENT | 298 | ||
| 4 | 2D NOESY | 1.4mM CgNa; D2O | D2O | 7 | AMBIENT | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 500 |
| 2 | Bruker | AVANCE | 500 |
| 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 (minimized average structure) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | CYANA | 2.1 | P.GUNTERT ET AL |
| 2 | refinement | Amber | 8.0 | D.A.PEARLMAN ET AL |
| 3 | data analysis | XEASY | C.BARTELS ET AL | |
