6EE9
Cytokine-like Peptide Stress-response Peptide-1 from Manduca Sexta
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 1.8 mM Stress-response Peptide-1 | 90% H2O/10% D2O | 2.7 | 1 atm | 298 | Varian UNITY 500 | |
| 2 | 2D DQF-COSY | 1.8 mM Stress-response Peptide-1 | 90% H2O/10% D2O | 2.7 | 1 atm | 298 | Varian UNITY 500 | |
| 3 | 2D 1H-1H NOESY | 1.8 mM Stress-response Peptide-1 | 90% H2O/10% D2O | 2.7 | 1 atm | 298 | Varian UNITY 500 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 3.2a | Varian |
| 2 | processing | VNMR | 3.2a | Varian |
| 3 | peak picking | CcpNMR | 2.4 | CCPN |
| 4 | chemical shift assignment | Analysis | 2.4 | CCPN |
| 5 | refinement | CNS | 1.3 | Brunger, Adams, Clore, Gros, Nilges and Read |
| 6 | refinement | ProcheckNMR | Laskowski and MacArthur | |
| 7 | structure calculation | CNS | 1.3 | Brunger, Adams, Clore, Gros, Nilges and Read |
