1TUT

J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY~~2 mM RNA, 80 mM NaCl, 3 mM KH2PO4, 7 mM K2HPO4, 0.5 mM Na2EDTA, 3 mM cobalt hexamine, pH=6.1, 90% H2O, 10% D2O90% H2O/10% D2O80 mM NaCl, 3 mM cobalt hexamine6.1ambient298
22D NOESY~~2 mM RNA, 80 mM NaCl, 3 mM KH2PO4, 7 mM K2HPO4, 0.5 mM Na2EDTA, 3 mM cobalt hexamine, pH=6.1100% D2O80 mM NaCl, 3 mM cobalt hexamine6.1ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
NMR Refinement
MethodDetailsSoftware
molecular dynamicsThe structures are based on a total of 217 NMR-derived interproton distance restraints (108 intranucleotide and 109 internucleotide). Hydrogn bond restraints were used for the six WC pairs and for the G8-U14 wobble pair. On the basis of NMR data that is consistent with the formation of tandem sheared AA pairs, two artificial hydrogen bonding restraints were used between each sheared AA pair.VNMR
NMR Ensemble Information
Conformer Selection Criteriaclosest to average
Conformers Calculated Total Number50
Conformers Submitted Total Number1
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR5.2Varian
2data analysisFelix2000Felix
3structure solutionDiscover95.0Insight
4refinementDiscover95.0Insight