2EW9
Solution structure of apoWLN5-6
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D_13C-separated_NOESY | 2mM apoWLN5-6 U-13C,15N, 100 mM phosphate buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 100 mM sodium phosphate | 7.2 | ambient | 298 | |
2 | 2D NOESY | 2mM apoWLN5-6 U-15N, 100 mM phosphate buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 100 mM sodium phosphate | 7.2 | ambient | 298 | |
3 | 3D_15N-separated_NOESY | 2mM apoWLN5-6 U-15N, 100 mM phosphate buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 100 mM sodium phosphate | 7.2 | ambient | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 900 |
2 | Bruker | AVANCE | 800 |
3 | Bruker | AVANCE | 600 |
4 | Bruker | AVANCE | 500 |
NMR Refinement | ||
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Method | Details | Software |
torsion angle dynamics | the structures are based on a total of 2900 restraints, 2623 are NOE-derived distance constraints, 173 dihedral angle restraints, 104 distance restraints from hydrogen bonds | XwinNMR |
NMR Ensemble Information | |
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Conformer Selection Criteria | target function |
Conformers Calculated Total Number | 300 |
Conformers Submitted Total Number | 31 |
Representative Model | 1 (minimized average structure) |
Additional NMR Experimental Information | |
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Details | The structure was determined using triple-resonance NMR spectroscopy |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | XwinNMR | ||
2 | processing | XwinNMR | ||
3 | data analysis | CARA | ||
4 | structure solution | DYANA | ||
5 | refinement | Amber | 5.0 |