2ELI

Solution structure of the second Phorbol esters/diacylglycerol binding domain of human Protein kinase C alpha type


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1.2mM sample U-15N, 13C; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.05mM ZnCl2; 1mM IDA; 0.02% NaN3; 90% H2O, 10% D2O90% H2O/10% D2O120mM7.0ambient298
23D_15N-separated_NOESY1.2mM sample U-15N, 13C; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.05mM ZnCl2; 1mM IDA; 0.02% NaN3; 90% H2O, 10% D2O90% H2O/10% D2O120mM7.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE2900
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsTopSpin
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations, target function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpin1.3Bruker
2processingNMRPipe20030801Delaglio, F.
3data analysisNMRView5.0.4Johnson, B.A.
4data analysisKUJIRA0.9820Kobayashi, N.
5structure solutionCYANA2.0.17Guntert, P.
6refinementCYANA2.0.17Guntert, P.