1J0T
The solution structure of molt-inhibiting hormone from the kuruma prawn
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 2mM MIH U-15N, 13C; 30% CD3CN; 10% D2O, 60% H2O | 30% CD3CN; 10% D2O, 60% H2O | 0 | 7.4 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 2mM MIH U-15N; 30% CD3CN; 10% D2O, 60% H2O | 30% CD3CN; 10% D2O, 60% H2O | 0 | 7.4 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry torsion angle dynamics | DYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | back calculated data agree with experimental NOESY spectrum |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 10 (fewest violations) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | DYANA | 1.4 | Guentert |
