1F6X

SOLUTION STRUCTURE OF THE RNASE P RNA (M1 RNA) P4 STEM OLIGORIBONUCLEOTIDE


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY2 mM P4 RNA; 100 mM sodium chloride; 10 mM phosphate buffer; 90% H2O, 10% D2O90% H2O/10% D2O100 mM Na6.5ambient288
22D NOESY2 mM P4 RNA; 100 mM sodium chloride; 10 mM phosphate buffer; 99.96% D2O99.96% D2O100 mM Na6.5ambient288
32D NOESY2 mM P4 RNA; 100 mM sodium chloride; 10 mM magnesium chloride; 10 mM phosphate buffer; 90% H2O, 10% D2O90% H2O/10% D2O100 mM Na, 10 mM Mg6.5ambient288
42D NOESY2 mM P4 RNA; 100 mM sodium chloride; 3 mM hexammine cobalt chloride; 10 mM phosphate buffer; 90% H2O, 10% D2O90% H2O/10% D2O100 mM Na, 3 mM Co(NH3)66.5ambient288
5DQF-COSY2 mM P4 RNA; 100 mM sodium chloride; 10 mM phosphate buffer; 99.96% D2O99.96% D2O100 mM Na6.5ambient288
631P-1H-COSY2 mM P4 RNA; 100 mM sodium chloride; 10 mM phosphate buffer; 99.96% D2O99.96% D2O100 mM Na6.5ambient288
713C-1H-HMQC2 mM P4 RNA; 100 mM sodium chloride; 10 mM phosphate buffer; 99.96% D2O99.96% D2O100 mM Na6.5ambient288
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAMX600
2BrukerDRX500
NMR Refinement
MethodDetailsSoftware
restrained molecular dynamics; simulated annealingThe average structure is based on superposition of nine converged structures after refinement. The average RMS deviation between the ensemble and the average structure is 1.8 Angstrom. A total of 266 NOE-derived distance constraints, 164 dihedral restraints and 48 distance restraints from hydrogen bonds were used in the refinementXwinNMR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Representative Model1 (minimized average structure)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques and 13C and 31P heteronuclear techniques at natural abundance
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR3.1Bruker
2processingFelix95.0MSI
3structure solutionX-PLOR3.841Brunger
4refinementX-PLOR3.841Brunger