1QK9

The solution structure of the domain from MeCP2 that binds to methylated DNA


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1NOESY90% H2O / 10% D2O6.0291
2COSY90% H2O / 10% D2O6.0291
3TOCSY90% H2O / 10% D2O6.0291
4HNCA90% H2O / 10% D2O6.0291
5HNCOCA90% H2O / 10% D2O6.0291
6CBCACONH90% H2O / 10% D2O6.0291
7HNCO90% H2O / 10% D2O6.0291
8HNCACB90% H2O / 10% D2O6.0291
9HCCH-TOCSY90% H2O / 10% D2O6.0291
10HCCONH-TOCSY90% H2O / 10% D2O6.0291
11CCONH-TOCSY90% H2O / 10% D2O6.0291
1215N-EDITTED HSQC90% H2O / 10% D2O6.0291
1313C-EDITTED HSQC90% H2O / 10% D2O6.0291
14HBHACONH90% H2O / 10% D2O6.0291
1515N-EDITTED HSQC-NOESY90% H2O / 10% D2O6.0291
1613C-EDITTED HSQC-NOESY90% H2O / 10% D2O6.0291
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingAMBIGUOUS DISTANCE RESTRAINTS WERE USED SEE M.NILGES CITATIONX-PLOR
NMR Ensemble Information
Conformer Selection CriteriaLOWEST ENERGIES
Conformers Calculated Total Number30
Conformers Submitted Total Number28
Representative Model5 (n/a)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLORBRUNGER
2structure solutionVNMR
3structure solutionAzara
4structure solutionANSIG
5structure solutionX-PLOR