SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D 1H-13C NOESY aliphatic 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
2 3D 1H-13C NOESY aromatic 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
3 3D 1H-15N NOESY 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
4 3D HNCO 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
5 3D HNCA 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
10 3D CBCA(CO)NH 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
9 3D HNCACB 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
8 3D HN(CO)CA 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O 0.08 93% H2O/7% D2O 6.8 AMBIENT 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian UNITY 600
NMR Refinement
Method Details Software
torsion angle dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations
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 structure calculation 2.1 CYANA Guntert, Mumenthaler and Wuthrich
2 refinement 1.2 CNS Brunger, Adams, Clore, Gros, Nilges and Read
3 structure calculation 2.02 CANDID Herrmann, Guntert and Wuthrich
4 chemical shift assignment 1.8.4 CARA Keller and Wuthrich
5 peak picking 1.8.4 CARA Keller and Wuthrich
7 collection 3.5 TopSpin Bruker Biospin
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