2MXF

Structure of the DNA complex of the C-Terminal domain of MvaT


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
23D HCCH-TOCSY1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
33D HCCH-COSY1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
43D 1H-15N NOESY1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
53D 1H-13C NOESY1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
62D 1H-1H NOESY1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
72D 1H-1H TOCSY1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')90% H2O/10% D2O0.16ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE800
2BrukerAVANCE600
NMR Refinement
MethodDetailsSoftware
simulated annealingAmber
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementAmberCase, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman