SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D NOESY 0.3 mM RNA-A chain A, 0.3 mM RNA-A chain B, 100 mM sodium chloride, 10 mM sodium phosphate, 1 mM EDTA, 90% H2O/10% D2O 110 90% H2O/10% D2O 7 1 298
2 2D 1H-1H TOCSY 0.3 mM RNA-A chain A, 0.3 mM RNA-A chain B, 100 mM sodium chloride, 10 mM sodium phosphate, 1 mM EDTA, 90% H2O/10% D2O 110 90% H2O/10% D2O 7 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian VNMRS800 800
NMR Refinement
Method Details Software
simulated annealing ? 2
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 10
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 chemical shift assignment 3.0.1 CcpNmr Analysis CCPN
2 structure calculation 20 Amber Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman
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