2KWN

Solution structure of the double PHD (plant homeodomain) fingers of human transcriptional protein DPF3b bound to a histone H4 peptide containing acetylation at Lysine 16


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D HNCACB100 mM sodium phosphate, 2 mM DTT90% H2O/10% D2O6.5ambient298
23D HN(COCA)CB100 mM sodium phosphate, 2 mM DTT90% H2O/10% D2O6.5ambient298
33D 1H-15N NOESY100 mM sodium phosphate, 2 mM DTT100% D2O6.5ambient298
43D 1H-13C NOESY100 mM sodium phosphate, 2 mM DTT100% D2O6.5ambient298
53D_13C-Edited_13C/15N-filtered NOESY100 mM sodium phosphate, 2 mM DTT100% D2O6.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE900
2BrukerAVANCE800
3BrukerAVANCE600
4BrukerDRX500
NMR Refinement
MethodDetailsSoftware
DGSA-distance geometry simulated annealing, torsion angle dynamicsARIA
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementARIA2.2Linge, O'Donoghue and Nilges
2processingNMRPipe2.3Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3chemical shift calculationNMRPipe2.3Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4data analysisNMRView5.04Johnson, One Moon Scientific
5peak pickingNMRView5.04Johnson, One Moon Scientific
6chemical shift assignmentNMRView5.04Johnson, One Moon Scientific
7structure solutionCNS1.2Brunger, Adams, Clore, Gros, Nilges and Read