1YX6

Solution Structure of S5a UIM-2/Ubiquitin Complex


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY0.5 mM S5a U-15N, 2H; 2.0 mM ubiquitin unlabeled20 mM Phosphate buffer, 100 mM NaCl, 10% D2O100 mM NaCl6.51 atm298
24D_13C/15N-separated_NOESY0.5 mM S5a U-15N, 2H; 2.0 mM ubiquitin U-13C20 mM Phosphate buffer, 100 mM NaCl, 10% D2O100 mM NaCl6.51 atm298
33D half-filtered 13C-separated NOESY0.5 mM S5a U-13C; 2.0 mM ubiquitin unlabeled20 mM Phosphate buffer, 100 mM NaCl, 10% D2O100 mM NaCl6.51 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA800
NMR Refinement
MethodDetailsSoftware
simulated annealingX-PLOR
NMR Ensemble Information
Conformer Selection Criteriaback calculated data agree with experimental NOESY spectrum
Conformers Calculated Total Number20
Conformers Submitted Total Number18
Representative Model9 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionX-PLOR3.851
2data analysisNMRPipe
3refinementX-PLOR3.851