SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_15N-separated_NOESY 2mM human lysozyme U-15N, 13C; 2.5M KCl; pH 3.8 adjusted at room temperature 2.5M KCl 90% H2O/10% D2O 3.8 ambient 308
2 3D_13C-separated_NOESY 2mM human lysozyme U-15N, 13C; 2.5M KCl; pH 3.8 adjusted at room temperature 2.5M KCl 90% H2O/10% D2O 3.8 ambient 308
3 HNHA 2mM human lysozyme U-15N, 13C; 2.5M KCl; pH 3.8 adjusted at room temperature 2.5M KCl 90% H2O/10% D2O 3.8 ambient 308
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 500
NMR Refinement
Method Details Software
distance geometry, simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number 20
Conformers Submitted Total Number 1
Representative Model 1 (minimized average structure)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 6.1 VNMR Varian
2 data analysis 4.3.2 NMRPipe Garrett
3 structure solution 3.8 X-PLOR Brunger
4 refinement 3.8 X-PLOR Brunger
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