1Z60

Solution structure of the carboxy-terminal domain of human TFIIH P44 subunit


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-edited TOCSY and NOESY1mM p44 U-15N; 20mM deuterated TrisHCl buffer, 20mM NaCl and 0.5mM DTT90% H2O/10% D2O7ambient293
23D_15N-edited TOCSY and NOESY1mM p44 U-15N; 20mM deuterated TrisHCl buffer, 20mM NaCl and 0.5mM DTT90% H2O/10% D2O7ambient303
32D TOCSY and NOESY0.5mM p44; 20mM deuterated TrisHCl buffer, 20mM NaCl and 0.5mM DTT90% H2O/10% D2O7ambient303
4HSQC1mM p44 U-15N; 20mM deuterated TrisHCl buffer, 20mM NaCl and 0.5mM DTT90% H2O/10% D2O7ambient293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealingAutomated assignment of the NOE was performed, The structures are based on 1294 unambiguous NOE-derived distance constraints, 32 dihedral angle restraints and 17 distance restraints from hydrogen bonds. Geometry of the zinc binding site II is distorded due to conformational exchange averaging.ARIA / CNS
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number50
Conformers Submitted Total Number10
Representative Model1 (the best geometry)
Additional NMR Experimental Information
Details113Cd-1H HSQC spectrum was recorded using a broadband z-gradient probe at 293 K
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionARIA / CNS1.2.Nilges
2refinementXPLOR-NIH2.0.6
3data analysisXEASY1.2Bartels
4processingXwinNMR2.6bruker