2RVL

Solution structure of the chromodomain of HP1alpha with the N-terminal tail


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
22D 1H-13C HSQC aliphatic20 mM [U-99% 13C; U-99% 15N] potassium phosphate-4, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-5, 5 mM [U-99% 13C; U-99% 15N] DTT-6100% D2O6.8ambient298
32D 1H-13C HSQC aromatic20 mM [U-99% 13C; U-99% 15N] potassium phosphate-4, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-5, 5 mM [U-99% 13C; U-99% 15N] DTT-6100% D2O6.8ambient298
43D HNCO20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
53D HNCA20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
63D HNCACB20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
73D CBCA(CO)NH20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
83D HN(CO)CA20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
93D HBHA(CO)NH20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
103D C(CO)NH20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
113D H(CCO)NH20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
123D HCCH-TOCSY20 mM [U-99% 13C; U-99% 15N] potassium phosphate-4, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-5, 5 mM [U-99% 13C; U-99% 15N] DTT-6100% D2O6.8ambient298
133D 1H-15N NOESY20 mM [U-99% 13C; U-99% 15N] potassium phosphate-1, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-2, 5 mM [U-99% 13C; U-99% 15N] DTT-390% H2O/10% D2O6.8ambient298
143D 1H-13C NOESY aliphatic20 mM [U-99% 13C; U-99% 15N] potassium phosphate-4, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-5, 5 mM [U-99% 13C; U-99% 15N] DTT-6100% D2O6.8ambient298
153D 1H-13C NOESY aromatic20 mM [U-99% 13C; U-99% 15N] potassium phosphate-4, 10 mM [U-99% 13C; U-99% 15N] sodium chloride-5, 5 mM [U-99% 13C; U-99% 15N] DTT-6100% D2O6.8ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE800
2BrukerAVANCE700
3BrukerAVANCE600
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsCYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number600
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCYANAGuntert, Mumenthaler and Wuthrich
2processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3chemical shift assignmentOliviaYokochi, M., Sekiguchi, S. and Inagaki, F.
4refinementCYANA