1K5F

SOLUTION STRUCTURE OF THE S-STYRENE ADDUCT IN THE RAS61 SEQUENCE


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1Noesy130 OD260 of double stranded oligodeoxynucleotide dissolved in 0.5 ml nmr buffer containing 99.996% D2OThe buffer is 10mM sodium phosphate pH 6.9 containing 100mM NaCl and 0.05mM Na2EDTA10mM phosphate buffer6.91 atm283
2DQF-COSY130 OD260 of double stranded oligodeoxynucleotide dissolved in 0.5 ml nmr buffer containing 99.996% D2OThe buffer is 10mM sodium phosphate pH 6.9 containing 100mM NaCl and 0.05mM Na2EDTA10mM phosphate buffer6.91 atm283
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX500
NMR Refinement
MethodDetailsSoftware
simulated annealing, molecular dynamics, matrix relaxationFelix
NMR Ensemble Information
Conformer Selection Criteriaback calculated data agree with experimental NOESY spectrum
Conformers Calculated Total Number50
Conformers Submitted Total Number1
Representative Model1 (minimized average structure)
Additional NMR Experimental Information
DetailsNOESY at 100, 150 and 200 ms mixing time
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionFelix97Molecular Simulations
2refinementMARDIGRAS3.0James, TL
3iterative matrix relaxationX-PLOR3.85Brunger
4data analysisCORMA4.0James