1KLP

The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1HNCACB2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN390% H2O/10% D2O0.16.5ambient300
2CBCA(CO)NH2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN390% H2O/10% D2O0.16.5ambient300
3HNCO2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN390% H2O/10% D2O0.16.5ambient300
4HNHA2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN390% H2O/10% D2O0.16.5ambient300
5HCCH-TOCSY2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN390% H2O/10% D2O0.16.5ambient300
613C-HSQC-NOESY2 mM 15N,13C; 40 mM potassium phosphate pH 6.5; 0.1 mM DTT; 0.1% NaN390% H2O/10% D2O0.16.5ambient300
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamics simulated annealingDYANA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number320
Conformers Submitted Total Number20
Representative Model1 (lowest target function)
Additional NMR Experimental Information
DetailsThe structure was determined using triple-resonance NMR spectroscopy.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementDYANA1.5Guntert, P.
2processingNMRPipeDelaglio, F.
3data analysisXEASY1.3.13Xia, T.-H.