2A7Y

Solution Structure of the Conserved Hypothetical Protein Rv2302 from the Bacterium Mycobacterium tuberculosis


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY~ 2 mM protein; Uniformily 15N- and 13C-labeled; 100 mM KCl, 20 mM potassium phosphate, 2.0 mM dithiothreitol, pH 7.1, 90% H2O, 10%D2O100 mM KCl, 20 mM potassium phosphate, 2.0 mM dithiothreitol, pH 7.1, 90% H2O, 10%D2O100 mM KCl, 20 mM potassium phosphate7.1ambient298
23D_13C-separated_NOESY~ 2 mM protein; Uniformily 15N- and 13C-labeled; 100 mM KCl, 20 mM potassium phosphate, 2.0 mM dithiothreitol, pH 7.1, 90% H2O, 10%D2O100 mM KCl, 20 mM potassium phosphate, 2.0 mM dithiothreitol, pH 7.1, 90% H2O, 10%D2O100 mM KCl, 20 mM potassium phosphate7.1ambient298
34D_13C-separated_NOESY~ 2 mM protein; Uniformily 15N- and 13C-labeled; 100 mM KCl, 20 mM potassium phosphate, 2.0 mM dithiothreitol, pH 7.1, 90% H2O, 10%D2O100 mM KCl, 20 mM potassium phosphate, 2.0 mM dithiothreitol, pH 7.1, 90% H2O, 10%D2O100 mM KCl, 20 mM potassium phosphate7.1ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
2VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingfinal set of structures were refined with explicit water.CNS
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number55
Conformers Submitted Total Number25
Representative Model1 (closest to the average)
Additional NMR Experimental Information
Detailstypical suite of backbone assignment experiments collected and analyzed.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCNS1.1Warren, Nilges, Kuszewski, Clore & Brunger
2data analysisFelix98MSI, San Diego, CA
3refinementCNS1.1Warren, Nilges, Kuszewski, Clore & Brunger