6TUB
Beta-endorphin amyloid fibril
SOLID-STATE NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D CHHC | 2 mg/mL [U-100% 13C; U-100% 15N] beta-endorphin, 90 % H2O, 10 % [U-2H] D2O | 90% H2O/10% D2O | n.a. | 5.5 | AMBIENT Pa | 273 | Bruker AVANCE 850 |
2 | 2D PAR | 2 mg/mL [U-100% 13C; U-100% 15N] beta-endorphin, 90 % H2O, 10 % [U-2H] D2O | 90% H2O/10% D2O | n.a. | 5.5 | AMBIENT Pa | 273 | Bruker AVANCE 850 |
3 | 2D PDSD | 2 mg/mL [U-100% 13C; U-100% 15N] beta-endorphin, 90 % H2O, 10 % [U-2H] D2O | 90% H2O/10% D2O | n.a. | 5.5 | AMBIENT Pa | 273 | Bruker AVANCE 850 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 850 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
torsion angle dynamics | CYANA |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | target function |
Conformers Calculated Total Number | 95 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (closest to the average) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | structure calculation | CYANA | 3.98.3 | Guentert, P. |
2 | chemical shift assignment | CcpNmr Analysis | CCPN |