2I83 | pdb_00002i83

hyaluronan-binding domain of CD44 in its ligand-bound form


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1NOESY2.0mM CD44HABD U-15N,13C; 6.0mM hyaluronan; 50mM phosphate buffer; 150mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O150mM NaCl6.7AMBIENT310
23D_13C-separated_NOESY2.0mM CD44HABD U-15N,13C; 6.0mM hyaluronan; 50mM phosphate buffer; 150mM NaCl; 100% D2O100% D2O150mM NaCl6.7AMBIENT310
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsCYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCYANA2.1P.GUNTERT ET AL.
2structure solutionCYANA2.0