5Z5R
Nukacin ISK-1 in inactive state
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 1.1 mM nukacin ISK-1, 10 mM sodium phosphate | 90% H2O/10% D2O | 0 mM | 6.0 | ambient Pa | 283 | Bruker AVANCE 700 |
| 2 | 2D 1H-1H NOESY | 1.1 mM nukacin ISK-1, 10 mM sodium phosphate | 90% H2O/10% D2O | 0 mM | 6.0 | ambient Pa | 283 | Bruker AVANCE 700 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (target function) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CYANA | Guntert P. | |
