1XSH

Solution structure of E.coli RNase P RNA P4 stem oligoribonucleotide, U69C/C70U mutation


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY2mM P4 U69C/C70U RNA; 100mM NaCl; 10mM phosphate buffer pH 6.4; 90% H2O, 10% D2O90% H2O/10% D2O100mM NaCl6.4ambient288
22D NOESY2mM P4 U69C/C70U RNA; 100mM NaCl; 10mM phosphate buffer pH 6.4; 100% D2O100% D2O100mM NaCl6.4ambient288
3DQF-COSY2mM P4 U69C/C70U RNA; 100mM NaCl; 10mM phosphate buffer pH 6.4; 100% D2O100% D2O100mM NaCl6.4ambient288
431P-1H-Hetero-COSY2mM P4 U69C/C70U RNA; 100mM NaCl; 10mM phosphate buffer pH 6.4; 100% D2O100% D2O100mM NaCl6.4ambient288
531P-1H-Hetero-TOCSY-NOESY2mM P4 U69C/C70U RNA; 100mM NaCl; 10mM phosphate buffer pH 6.4; 100% D2O100% D2O100mM NaCl6.4ambient288
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX600
NMR Refinement
MethodDetailsSoftware
restrained molecular dynamics and simulated annealingThe average structure is based on the superposition of 14 structures after refinement. The average RMS deviation between the ensemble and the average structure is 1.77 Angstrom. A total of 261 NOE-derived distance constraints, 246 dihedral restraints and 48 distance restraints from hydrogen bonds were used in refinement.XwinNMR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Representative Model1 (minimized average structure)
Additional NMR Experimental Information
DetailsThe structure was determined using standard 2D homonuclear techniques as well as 13C and 31P heteronuclear experiments performed at natural abundance
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR1.2Bruker
2processingNMRPipe2.1F. Delaglio
3structure solutionX-PLOR3.1
4refinementX-PLOR3.1