SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-100% 13C; U-100% 15N] NEDD4LWW2, 3 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride90% H2O/10% D2O7.2ambient285
22D 1H-1H TOCSY1 mM NEDD4LWW2, 2 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride90% H2O/10% D2O7.2ambient285
32D 1H-1H NOESY1 mM NEDD4LWW2, 2 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride90% H2O/10% D2O7.2ambient285
43D CBCA(CO)NH1 mM [U-100% 13C; U-100% 15N] NEDD4LWW2, 3 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride90% H2O/10% D2O7.2ambient285
53D HNCACB1 mM [U-100% 13C; U-100% 15N] NEDD4LWW2, 3 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride90% H2O/10% D2O7.2ambient285
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsTopSpin
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number300
Conformers Submitted Total Number30
Representative Model1 (fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpinBruker Biospin
2processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3peak pickingCARAKeller and Wuthrich
4chemical shift assignmentCARAKeller and Wuthrich
5structure solutionCNSSOLVEBrunger, Adams, Clore, Gros, Nilges and Read
6refinementCNSSOLVEBrunger, Adams, Clore, Gros, Nilges and Read