1RY3
NMR Solution Structure of the Precursor for Carnobacteriocin B2, an Antimicrobial Peptide from Carnobacterium piscicola
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1 mM precarnobacteriocin B2 U-15N | 70% TFE-d3, 30% H2O | 2 | ambient | 308 | ||
| 2 | HNHA | 1 mM precarnobacteriocin B2 U-15N | 70% TFE-d3, 30% H2O | 2 | ambient | 308 | ||
| 3 | 3D_13C-separated_NOESY | 1 mM precarnobacteriocin B2 U-15N,U-13C | 70% TFE-d3, 30% D2O | 2 | ambient | 308 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | 649 NOE-derived distance constraints, 22 hydrogen bonds and 91 dihedral angles were used in the calculation | VNMR |
| 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 | collection | VNMR | 6.1C | |
| 2 | processing | NMRPipe | 2.2 | Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G. |
| 3 | data analysis | NMRView | 5.0 | Johnson, B.A., Blevins, R.A.J. |
| 4 | structure solution | CNS | 1.1 | |
| 5 | refinement | CNS | 1.1 | |
