SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N/13C-separated_NOESY | 0.5mM LIM1; 50mM phosphate; 100mM NaCl; 0.5mM beta-mercaptoethanol | 90% H2O/10% D2O | 7.5 | ambient | 298 | ||
| 2 | HNHA | 0.5mM LIM1; 50mM phosphate; 100mM NaCl; 0.5mM beta-mercaptoethanol | 90% H2O/10% D2O | 7.5 | ambient | 298 | ||
| 3 | 2D NOESY | 0.5mM LIM1; 50mM phosphate; 100mM NaCl; 0.5mM beta-mercaptoethanol | 100% D2O | 7.5 | ambient | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITYPLUS | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 125 |
| Conformers Submitted Total Number | 25 |
| Representative Model | 6 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR | 3.843 | Brunger, A. |
| 2 | refinement | X-PLOR | 3.843 | Brunger, A. |
