1JUR

Solution Structure of Helix III in Xenopus Oocyte 5S rRNA.


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY2mM Helix III hairpin; 5mM Cacodylate buffer (pH 6.5); 100 mM KCl90% H2O/10% D2O100 mM KCl6.5ambient10
22D NOESY2mM Helix III hairpin; 5mM Cacodylate buffer (pH 6.5); 100 mM KCl100% D2O100 mM KCl6.5ambient30
3DQF-COSY2mM Helix III hairpin; 5mM Cacodylate buffer (pH 6.5); 100 mM KCl100% D2O100 mM KCl6.5ambient30
42D_13C_separated_HMQC2mM Helix III hairpin; 5mM Cacodylate buffer (pH 6.5); 100 mM KCl100% D2O100 mM KCl6.5ambient30
52D_31P_separated_COSY2mM Helix III hairpin; 5mM Cacodylate buffer (pH 6.5); 100 mM KCl100% D2O100 mM KCl6.5ambient30
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY500
2VarianUNITYPLUS600
3VarianINOVA800
4GEOMEGA500
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsIn addition to the experimentally derived distance constraints and dihedral angle constraints, the structures were computed using 22 non-experimental constraints to ensure Watson-Crick Base pairing and tetraloop formation.VNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with acceptable covalent geometry,structures with favorable non-bond energy,structures with the lowest energy
Conformers Calculated Total Number30
Conformers Submitted Total Number9
Representative Model1 (closest to the average)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMRVarian
2processingFelix95Biosym
3structure solutionX-PLOR3.851Brunger
4refinementX-PLOR3.851Brunger