1UG1
SH3 domain of Hypothetical protein BAA76854.1
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1.0mM PROTEIN U-15N, 13C; 20mM Phosphate buffer Na; 100mM NaCl; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 100mM | 6.0 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 1.0mM PROTEIN U-15N, 13C; 20mM Phosphate buffer Na; 100mM NaCl; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 100mM | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics, simulated annealing | NMRView | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | data analysis | NMRView | 5.0.4 | Johnson |
| 2 | structure solution | CYANA | 1.0 | Guentert |
| 3 | processing | NMRPipe | 1.8 | Delaglio |
| 4 | data analysis | KUJIRA | 0.816 | Kobayashi, N. |
| 5 | refinement | CYANA | 1.0 | Guentert |
