2L2R
Helical hairpin structure of a novel antimicrobial peptide EcAMP1 from seeds of barnyard grass (Echinochloa crus-galli)
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-1H NOESY | 0.7 mg/mL EcAMP1, 10 mM KOH | 95% H2O/5% D2O | 10 | 6.62 | 1 atm | 293 | |
2 | 2D 1H-1H TOCSY | 0.7 mg/mL EcAMP1, 10 mM KOH | 95% H2O/5% D2O | 10 | 6.62 | 1 atm | 293 | |
3 | 2D DQF-COSY | 0.7 mg/mL EcAMP1, 10 mM KOH | 95% H2O/5% D2O | 10 | 6.62 | 1 atm | 293 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 800 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | Simulated annealing in torsion angle space implemented in CYANA | CYANA |
NMR Ensemble Information | |
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Conformer Selection Criteria | target function |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (fewest violations) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | structure solution | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
2 | refinement | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |