SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
22D 1H-13C HSQC1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
33D CBCA(CO)NH1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
43D C(CO)NH1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
53D HBHA(CO)NH1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
63D HCCH-TOCSY1.0 mM [U-99% 13C; U-99% 15N] RRM-like domain100% D2O150 mM6.51 bar25Bruker DMX 600
73D HNCACB1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
83D 1H-15N NOESY1 mM [U-99% 13C; U-99% 15N] RRM-like domain90% H2O/10% D2O150 mM6.51 bar25Bruker DMX 600
93D 1H-13C NOESY1.0 mM [U-99% 13C; U-99% 15N] RRM-like domain100% D2O150 mM6.51 bar25Bruker DMX 600
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsCYANA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (target function)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCYANA3.0Guntert, Mumenthaler and Wuthrich
2chemical shift assignmentSparkyGoddard
3processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
5peak pickingSparkyGoddard