1XWP

Solution structure of AUCGCA loop


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY0.5mM RNA; 10mM phosphate buffer NA; 95% H2O, 5% D2O95% H2O/5% D2O10mM6.5ambient283
22D NOESY0.5mM RNA; 10mM phosphate buffer NA; 100% D2O100% D2O10mM6.5ambient283
32D TOCSY0.5mM RNA; 10mM phosphate buffer NA; 100% D2O100% D2O10mM6.5ambient283
4DQF-COSY0.5mM RNA; 10mM phosphate buffer NA; 100% D2O100% D2O10mM6.5ambient283
5HP-COSY0.5mM RNA; 10mM phosphate buffer NA; 100% D2O100% D2O10mM6.5ambient283
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX500
2BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealingThe structure is based on a total of 215 restraints, 155 are NOE-derived distance constraints, 45 dihedral angle restraints, 11 distance restraints from hydrogen bonds, 4 base planarity restraints.XwinNMR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Representative Model (minimized average structure)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR2.6
2processingXwinNMR2.6
3data analysisFelix97.0
4structure solutionDiscover97.0
5refinementDiscover97.0