2LGN
Lactococcin 972
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 1.3 mM Lcn972 | 90% H2O/10% D2O | 0.1 | 6.8 | ambient | 277 | |
| 2 | 2D 1H-1H TOCSY | 1.3 mM Lcn972 | 90% H2O/10% D2O | 0.1 | 6.8 | ambient | 277 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | XEASY | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 250 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (fewest violations) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | chemical shift assignment | XEASY | Bartels et al. | |
| 2 | peak picking | XEASY | Bartels et al. | |
| 3 | collection | TOPSPIN | 3.0 | Bruker Biospin |
| 4 | processing | TOPSPIN | 3.0 | Bruker Biospin |
| 5 | structure solution | DYANA | INDYANA extended | Guntert, Braun and Wuthrich |
| 6 | refinement | DYANA | INDYANA extended | Guntert, Braun and Wuthrich |
