SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1.3mM Human Lymphotactin, U-15N,13C; 20 mM phosphate buffer pH 6.0, 200 mM NaCl | 90% H2O/10% D2O | 200 mM sodium chloride | 6.0 | 283 | ||
| 2 | 3D_15N-separated_NOESY | 1 mM Human Lymphotactin, U-15N; 20 mM phosphate buffer pH 6.0, 200 mM NaCl | 90% H2O/10% D2O | 200 mM sodium chloride | 6.0 | 283 | ||
| 3 | 2D NOESY | 1 mM Human Lymphotactin, 20 mM phosphate buffer pH 6.0, 200 mM NaCl | 100% D2O | 200 mM sodium chloride | 6.0 | 283 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| 2 | Bruker | DMX | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | The structures are based on a total of 1258 NOE-derived distance constraints, 60 dihedral angle constraints and 4 disulfide bond constraints. | DYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy, target function |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | DYANA | 1.5 | Guntert |
| 2 | processing | NMRPipe | ||
| 3 | collection | XwinNMR | ||
| 4 | processing | Felix | ||
| 5 | data analysis | XEASY | ||
| 6 | refinement | DYANA | Guntert | |
