SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | ~2.5 mM hybrid, 80 mM NaCl, 10 mM phosphate, 0.5 mM EDTA | 99.996% D2O | 80 mM NaCl | 7.0 | ambient | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing, energy minimization | The structure is based on a total of 160 interproton distance restraints, 18 hydrogen bond restraints, and 59 dihedral angle restraints. | VNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 5.2 | Varian |
| 2 | data analysis | Felix | 2000 | MSI |
| 3 | structure solution | Discover | 95.0 | MSI |
| 4 | refinement | Discover | 95.0 | MSI |
