SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D/4D HETERONUCLEAR EXPERIMENTS | 100 mM KCL | 7.0 | 1 atm | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY INOVA | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY/SIMULAT | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | DYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST TARGET FUNCTION |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N LABELED L25. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | DYANA | GUNTERT,WUTHRICH | |
| 2 | structure solution | DYANA | GUNTERT,WUTHRICH | |
