1JRM

NMR structure of MTH0637. Ontario Centre for Structural Proteomics target MTH0637_1_104; Northeast Structural Genomics Target TT135


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1HNCACB1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.590% H2O/10% D2O4506.5ambient298
2CBCA(CO)NH1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.590% H2O/10% D2O4506.5ambient298
3CCC-TOCSY-NNH1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.590% H2O/10% D2O4506.5ambient298
4HCCH-TOCSY1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.590% H2O/10% D2O4506.5ambient298
53D_13C-separated_NOESY1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.590% H2O/10% D2O4506.5ambient298
63D_15N-separated_NOESY1mM MTH0637 U-15N,13C; 25mM phosphate buffer, 450 mM NaCl, 10 mM DTT, 20 uM Zn2+, 1 mM benzamidine, pH 6.590% H2O/10% D2O4506.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsNMRPipe
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number20
Conformers Submitted Total Number1
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThe structure was determined using triple-resonance NMR spectroscopy.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipever 1.8, 2001.030.21.27Delaglio
2structure solutionDYANAver 1.5Guentert
3refinementDYANAVER 1.5GUENTERT