SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D TOCSY 2.92 mM AcAMP2F18Nal; 20 mM Phosphate buffer; 90% H20, 10% D20 100 mM NaCl 90% H20, 10% D20 5.6 ambient 298
2 2D NOESY 2.92 mM AcAMP2F18Nal; 20 mM Phosphate buffer; 90% H20, 10% D20 100 mM NaCl 90% H20, 10% D20 5.6 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AMX 500
NMR Refinement
Method Details Software
The structures are based on 348 NOE-derived distance constraints and 18 come from cys-cys disulfide bridges ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations
Conformers Calculated Total Number 50
Conformers Submitted Total Number 30
Representative Model 5 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 3.2 XwinNMR Bruker
2 data analysis 1.3.13 XEASY Wuthrich
3 structure solution 1.5 DYANA Guentert
4 refinement 5.0 Amber Kollman
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