SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
23D 1H-13C NOESY aliphatic1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
33D 1H-13C NOESY aromatic1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
43D 1H-15N NOESY1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
5APSY 4D-HACANH1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
6APSY 5D-CBCACONH1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
7APSY 5D-HACACONH1.2 mM [U-98% 13C; U-98% 15N] protein, 50 mM sodium chloride, 20 mM sodium phosphate, 5 mM sodium azide95% H2O/5% D2O0.2206.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
molecular dynamicsCYANA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number80
Conformers Submitted Total Number19
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCYANAGuntert P.
2refinementOPALpLUGINB, H.L., WUTHRICH, K.