SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 0.4mM U-15N WIF DOMAIN | 90% H2O/10% D2O | no buffer added | 6.0 | ambient | 301 | |
| 2 | 2D NOESY | 0.4mM U-15N WIF DOMAIN | 90% H2O/10% D2O | no buffer added | 6.0 | ambient | 301 | |
| 3 | 2D NOESY | 0.4mM U-15N WIF DOMAIN | 100% D2O | no buffer added | 6.0 | ambient | 301 | |
| 4 | DQF-COSY | 0.4mM U-15N WIF DOMAIN | 100% D2O | no buffer added | 6.0 | ambient | 301 | |
| 5 | 2D TOCSY | 0.4mM U-15N WIF DOMAIN | 100% D2O | no buffer added | 6.0 | ambient | 301 | |
| 6 | HNCA, CBCA(CO)NH | 0.7mM U-15N/13C WIF DOMAIN | 90% H2O/10% D2O | no buffer added | 6.0 | ambient | 301 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| 2 | Varian | UNITY | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | The structure is based on 1755 NOE restraints and 413 dihedral angle restraints. | DYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (closest to the average) |
| 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 | Guentert |
| 2 | refinement | OPAL | 2.6 | Luginbuehl |
