2DDE
Structure of cinnamycin complexed with lysophosphatidylethanolamine
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | DQF-COSY | 10MM CINNAMYCIN-C12-LYSOPE | AMBIENT | 318 | ||||
| 2 | PE-COSY | 10MM CINNAMYCIN-C12-LYSOPE | AMBIENT | 318 | ||||
| 3 | 2D NOESY | 10MM CINNAMYCIN-C12-LYSOPE | AMBIENT | 318 | ||||
| 4 | ROESY | 10MM CINNAMYCIN-C12-LYSOPE | AMBIENT | 318 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY, SIMULATED ANNEALING | X-PLOR 3.1 | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (n/a) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR 3.1 | BRUNGER | |
| 2 | structure solution | XwinNMR | ||
| 3 | structure solution | DADAS90 2.1 | ||
| 4 | structure solution | X-PLOR 3.1 | ||
