5W54
Cytokine-like Stress Response Peptide-2 in Manduca Sexta
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D DQF-COSY | 2.0 mM Stress Response Peptide-2 | 90% H2O/10% D2O | 2.5 | 1 atm | 298 | Varian VNMRS 500 | |
2 | 2D 1H-1H TOCSY | 2.0 mM Stress Response Peptide-2 | 90% H2O/10% D2O | 2.5 | 1 atm | 298 | Varian VNMRS 500 | |
3 | 2D 1H-1H NOESY | 2.0 mM Stress Response Peptide-2 | 90% H2O/10% D2O | 2.5 | 1 atm | 298 | Varian VNMRS 500 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | VNMRS | 500 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | CNS |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 400 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | CNS | 1.3 | Brunger A. T. et.al. |
2 | refinement | Procheck | 3.4 | Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton |
3 | chemical shift assignment | CcpNMR | CCPN | |
4 | peak picking | CcpNMR | CCPN | |
6 | collection | VnmrJ | 3.2 | Varian |
7 | structure calculation | CNS | 1.3 | Brunger A. T. et.al. |