NMR structure of immunosuppressory ubiquitin fragment is similar to related ubiquitin region.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 3.0 mM peptide | methanol | 0.15 | 5.0 | ambient | 298 | |
| 2 | 2D 1H-13C HSQC | 3.0 mM peptide | methanol | 0.15 | 5.0 | ambient | 298 | |
| 3 | 2D 1H-1H ROESY | 3.0 mM peptide | methanol | 0.15 | 5.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITYPLUS | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | CNS | 1.2 | Brunger, Adams, Clore, Gros, Nilges and Read |
| 2 | refinement | CNS | 1.2 | Brunger, Adams, Clore, Gros, Nilges and Read |
