SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
2 2D 1H-13C HSQC 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
3 3D HNCO 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
4 3D HNCA 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
5 3D HN(CO)CA 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
6 3D 1H-15N NOESY 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
7 3D 1H-13C NOESY aliphatic 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
8 3D 1H-13C NOESY aromatic 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
9 3D HCCH-TOCSY 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
10 3D 15N,13C-filtered, 13C-edited NOESY 1 mM protein, 1 mM [U-100% 13C; U-100% 15N] protein, 15 mM [U-2H] DMPC, 67 mM [U-2H] DHPC 1 mM sodium azide, 2 mM EDTA, 90% H2O/10% D2O 22 90% H2O/10% D2O 5.0 ambient 313
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE 600
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 200
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 structure solution 3.0 CYANA Guntert, Mumenthaler and Wuthrich
2 chemical shift assignment 1.8.5 CARA Keller and Wuthrich
3 collection 1.8.5 CARA Keller and Wuthrich
4 data analysis 1.8.5 CARA Keller and Wuthrich
5 refinement ? CYANA Guntert, Mumenthaler and Wuthrich
Feedback Form
Name
Email
Institute
Feedback