2K23
Solution Structure Analysis of the rLcn2
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D 1H-15N NOESY | 0.8mM [U-99% 13C; U-99% 15N] sodium phosphate | 90% H2O/10% D2O | 0.15 | 6.0 | ambient | 298 | |
| 2 | 3D 1H-13C NOESY | 0.8mM [U-99% 13C; U-99% 15N] sodium phosphate | 90% H2O/10% D2O | 0.15 | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | ARIA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 150 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | ARIA | Linge, O'Donoghue, Nilges | |
| 2 | refinement | ARIA | Linge, O'Donoghue, Nilges | |
