SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-1H NOESY 1.0 mM MYT1L_CX-5461 Complex, 95% H2O/5% D2O 52 95% H2O/5% D2O 7.0 1 298
2 2D 1H-1H TOCSY 1.0 mM MYT1L_CX-5461 Complex, 95% H2O/5% D2O 52 95% H2O/5% D2O 7.0 1 298
3 2D DQF-COSY 1.0 mM MYT1L_CX-5461 Complex, 95% H2O/5% D2O 52 95% H2O/5% D2O 7.0 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
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 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement ? CNS Brunger A. T. et.al.
2 structure calculation ? X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
3 chemical shift assignment ? Sparky Goddard
4 peak picking ? Sparky Goddard
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