SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 2mM Human lysozyme U-15N, 13C; 2.5M KCL, pH 3.8 adjusted at room temperature | 90% H2O/10% D2O | 2.5M KCL | 3.8 | ambient | 277 | |
| 2 | 3D_13C-separated_NOESY | 2mM Human lysozyme U-15N, 13C; 2.5M KCL, pH 3.8 adjusted at room temperature | 90% H2O/10% D2O | 2.5M KCL | 3.8 | ambient | 277 | |
| 3 | HNHA | 2mM Human lysozyme U-15N, 13C; 2.5M KCL, pH 3.8 adjusted at room temperature | 90% H2O/10% D2O | 2.5M KCL | 3.8 | ambient | 277 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry, simulated annealing | VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations,structures with the lowest energy |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (minimized average structure) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 6.1 | Varian |
| 2 | data analysis | NMRPipe | 4.3.2 | Garrett |
| 3 | structure solution | X-PLOR | 3.8 | Brunger |
| 4 | refinement | X-PLOR | 3.8 | Brunger |
