2K8Y

Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
22D 1H-13C HSQC1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
33D CBCA(CO)NH1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
43D HNCO1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
53D HNCACB1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
63D HCCH-TOCSY1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
73D HBHA(CO)NH1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
83D 1H-15N NOESY1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
93D 1H-13C NOESY1 mM [U-100% 13C; U-100% 15N] protein90% H2O/10% D2O0.16.3ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
simulated annealingCYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCYANAGuntert, Mumenthaler and Wuthrich
2refinementCYANAGuntert, Mumenthaler and Wuthrich