SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 2.2 mM U-15N E3L | 20 mM Na-phosphate pH=6.5; 20 mM NaCl; 5% D2O | 6.5 | ambient | 298 | ||
| 2 | 3D_13C-separated_NOESY | 2 mM U-13C,15N E3L | 20 mM Na-phosphate pH=6.5; 20 mM NaCl; 100 % D2O | 6.5 | ambient | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | 20 structures with the lowest energy |
| Conformers Calculated Total Number | 450 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | resonance assignments were obtained from triple-resonance NMR spectra and 3D 15N-separated NOESY spectra |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.6 | Neidig, R. |
| 2 | data analysis | Sparky | 3.1 | Goddard, T.D. and Kneller, D.G. |
| 3 | structure solution | DYANA | 1.5 | Guntert, P. |
| 4 | refinement | DYANA | 1.5 | Guntert, P. |
