SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
2 2D 1H-13C HSQC 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
3 3D HNCA 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
4 3D HNCO 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
5 3D HN(CO)CA 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
6 3D CBCA(CO)NH 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
7 3D HBHA(CO)NH 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
8 3D H(CCO)NH 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
9 3D HCCH-TOCSY 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
10 3D C(CO)NH 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
11 3D 1H-15N NOESY 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
12 3D 1H-13C NOESY 10mM TRIS, 100mM sodium chloride, 1.4mM protein, 90% H2O/10% D2O 0.1 90% H2O/10% D2O 7.5 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian VNMRS 700
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations
Conformers Calculated Total Number 200
Conformers Submitted Total Number 14
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 automated noe assignment 1.1 ARIA Dr. Michael Nilges, Institut Pasteur
2 nmr structure calculation 1.1 ARIA Dr. Michael Nilges, Institut Pasteur
3 chemical shift assignment ? Sparky Goddard
4 dihedral angles ? TALOS Cornilescu, Delaglio and Bax
5 processing VNMRJ_2.2C VnmrJ Varian
6 refinement ? CNS ?
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