SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_13C-separated_NOESY 1mM HI1506 U-13C, 15N 50mM Potassium phosphate, 100mM NaCl, 1mM DTT 50mM Potassium phosphate pH 7.0, 100mM NaCl, 1mM DTT; 90% H2O, 10% D2O 7.0 ambient 298
2 3D_15N-separated_NOESY 1mM HI1506 U-13C, 15N 50mM Potassium phosphate, 100mM NaCl, 1mM DTT 50mM Potassium phosphate pH 7.0, 100mM NaCl, 1mM DTT; 90% H2O, 10% D2O 7.0 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE 600
NMR Refinement
Method Details Software
structures were calculated using standard simulated annealing and torsion angle dynamics protocols in CNS version 1.1 ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with acceptable covalent geometry
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (closest to the average)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 3.5 XwinNMR Bruker-biospin
2 structure solution 1.1 CNS Brunger
3 processing ? NMRPipe Delaglio
4 data analysis ? Sparky Goddard and Kneller
5 refinement 1.1 CNS Brunger
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