SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_13C-separated_NOESY 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
2 3D_15N-separated_NOESY 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
3 2D 1H-15N HSQC 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
4 2D 1H-13C HSQC 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
5 3D HNCA 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
6 3D HN(CO)CA 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
7 3D HNCACB 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
8 3D CBCA(CO)NH 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
9 3D C(CO)NH 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
10 3D H(CCO)NH 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
11 3D HCCH-COSY 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
12 3D iHNCA 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
13 2D 1H-13C HSQC (arom) 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
14 (HB)CB(CGCD)HD 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
15 (HB)CB(CGCDCE)HE 0.5mM [U-13C; U-15N] Myotilin 249-344-1, 20mM potassium phosphate-2, 140mM sodium chloride-3, 1mM DTT-4, 90% H2O/10% D2O 140 90% H2O/10% D2O 6.7 ambient 293
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
molecular dynamics Born implicit solvent model 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations, structures with the lowest energy
Conformers Calculated Total Number 40
Conformers Submitted Total Number 25
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 processing 6.1 VNMR Varian Inc
2 data analysis 3.106 Sparky T. D. Goddard and D. G. Kneller
3 data analysis ? TALOS Gabriel Cornilescu, Frank Delaglio, and Ad Bax
4 structure solution 2.1 CYANA Guntert, P., Mumenthaler, C. & Wuthrich, K.
5 refinement 8.0 Amber Case, D.A et al.
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