1T3K | pdb_00001t3k

NMR structure of a CDC25-like dual-specificity tyrosine phosphatase of Arabidopsis thaliana


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_HNcaCO400 microM U-15N,13C Arath;CDC2525 mM phosphate buffer, pH7.6 250 mM NaCl 5 mM b-mercapthoethanol 95% H2O, 5% D2O7.6ambient293
23D HNCO400 microM U-15N,13C Arath;CDC2525 mM phosphate buffer, pH7.6 250 mM NaCl 5 mM b-mercapthoethanol 95% H2O, 5% D2O7.6ambient293
33D CBCA(CO)NH400 microM U-15N,13C Arath;CDC2525 mM phosphate buffer, pH7.6 250 mM NaCl 5 mM b-mercapthoethanol 95% H2O, 5% D2O7.6ambient293
43D HNCA400 microM U-15N,13C Arath;CDC2525 mM phosphate buffer, pH7.6 250 mM NaCl 5 mM b-mercapthoethanol 95% H2O, 5% D2O7.6ambient293
53D_15N-separated_NOESY400 microM U-15N Arath;CDC2525 mM phosphate buffer, pH7.6 250 mM NaCl 5 mM b-mercapthoethanol 95% H2O, 5% D2O7.6ambient293
63D_13C-separated_NOESY400 microM 13C Arath;CDC2525 mM phosphate buffer, pH7.6 250 mM NaCl 5 mM b-mercapthoethanol 100%D2O7.6ambient293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
distance geometry simulated annealingXwinNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
Detailscryo-probehead
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR3.1Bruker
2processingSNARFFrank Van Hoesel, Groningen, the Netherlands
3structure solutionCNS1.1Brunger et al.
4refinementCNS1.1Brunger et al.