2A7U

NMR solution structure of the E.coli F-ATPase delta subunit N-terminal domain in complex with alpha subunit N-terminal 22 residues


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY0.6 mM delta subunit N-terminal domain U-13C,15N; 0.9 mM alpha subunit N-terminal peptide; 10 mM Na,K phosphate, pH 7.2, 3mM NaN3, 0.1 mM EDTA; 93% H20, 7% D2093% H20, 7% D2050 mM7.2ambient295
213C/12C filtered 2-D NOESY0.6 mM delta subunit N-terminal domain U-13C,15N; 0.9 mM alpha subunit N-terminal peptide; 10 mM Na,K phosphate, pH 7.2, 3mM NaN3, 0.1 mM EDTA; 93% H20, 7% D2093% H20, 7% D2050 mM7.2ambient295
312C/12C filtered 2-D NOESY0.6 mM delta subunit N-terminal domain U-13C,15N; 0.9 mM alpha subunit N-terminal peptide; 10 mM Na,K phosphate, pH 7.2, 3mM NaN3, 0.1 mM EDTA; 93% H20, 7% D2093% H20, 7% D2050 mM7.2ambient295
414N/12C filtered 2-D NOESY0.6 mM delta subunit N-terminal domain U-13C,15N; 0.9 mM alpha subunit N-terminal peptide; 10 mM Na,K phosphate, pH 7.2, 3mM NaN3, 0.1 mM EDTA; 93% H20, 7% D2093% H20, 7% D2050 mM7.2ambient295
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
2BrukerAVANCE600
NMR Refinement
MethodDetailsSoftware
distance geometry; simulated annealing; molecular dynamicsrms difference of non-H atoms 1.114, for the backbone atoms 0.6174X-PLOR
NMR Ensemble Information
Conformer Selection Criteriaaveraged minimized structure
Conformers Calculated Total Number10
Conformers Submitted Total Number1
Representative Model (minimized average structure)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionX-PLOR3.8AT Brunger
2data analysisFelix98Accelrys
3refinementX-PLOR3.8AT Brunger