SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY50mM sodium phosphate, 300mM NaCl, 5mM bME, pH 7.2, 95% H2O, 5% D2O95% H2O/5% D2O300mM NaCl7.21 atm298
23D 15N,13C HNCO/HN(CA)CO50mM sodium phosphate, 300mM NaCl, 5mM bME, pH 7.2, 95% H2O, 5% D2O95% H2O/5% D2O300mM NaCl7.21 atm298
33D 15N,13C HNCA/HN(CO)CA50mM sodium phosphate, 300mM NaCl, 5mM bME, pH 7.2, 95% H2O, 5% D2O95% H2O/5% D2O300mM NaCl7.21 atm298
43D 15N,13C HNCACB/HN(CO)CACB50mM sodium phosphate, 300mM NaCl, 5mM bME, pH 7.2, 95% H2O, 5% D2O95% H2O/5% D2O300mM NaCl7.21 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
2VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingCYANA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number400
Conformers Submitted Total Number20
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCYANAGuntert, P. et al.