1Z6W
Human Lactoferricin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D TOCSY | 1mM lactoferricin | 90% H20, 10% D2O | no salt added | 3.5 | ambient | 298 | |
| 2 | 2D NOESY | 1mM lactoferricin | 90% H20, 10% D2O | no salt added | 3.5 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | The structures are based on a total of 750 NOE-derived distance constraints and 46 broad dihedral constraints. | XwinNMR |
| 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) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.0 | Bruker |
| 2 | processing | NMRPipe | 2.3 | Delaglio |
| 3 | structure solution | ARIA | 1.2 | Nilges |
| 4 | refinement | ARIA | 1.2 | Nilges |
