SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_15N-separated_NOESY 19.3 mg/mL YggX, 10 mM deuterated Tris, 10% D2O/H2O 10 mM 10% D2O/H2O 7.8 1 283
2 3D_13C-separated_NOESY 19.3 mg/mL YggX, 10 mM deuterated Tris, 10% D2O/H2O 10 mM 10% D2O/H2O 7.8 1 283
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
torsion angle dynamics the structures are based on a total of 2568 restraints, 2410 are NOE-derived distance constraints, 106 dihedral angle restraints,52 distance restraints from hydrogen bonds. 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 6.1 VNMR Varian
2 processing 1.7 NMRPipe Frank Delaglio
3 data analysis 98 Felix Accelrys
4 structure solution 1.1 CNS Brunger,Adams,Clore,Nilges.
5 refinement 1.2 ARIA Nilges
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