2KUR

Solution Structure of K10 TLS RNA (AU mutant in upper helix)


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-1H NOESY1.0 mM RNA (48-MER)-195% H2O/5% D2O0.016.0ambient298
22D 1H-1H NOESY1.0 mM RNA (48-MER)-2100% D2O0.016.0ambient298
32D 1H-1H TOCSY1.0 mM RNA (48-MER)-2100% D2O0.016.0ambient298
42D DQF-COSY1.0 mM RNA (48-MER)-2100% D2O0.016.0ambient298
52D HP COSY1.0 mM RNA (48-MER)-2100% D2O0.016.0ambient298
62D HNN COSY0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-395% H2O/5% D2O0.016.0ambient298
73D HCCH-TOCSY0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-4100% D2O0.016.0ambient298
83D HCCH-COSY0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-4100% D2O0.016.0ambient298
93D 13C NOESY-HSQC0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-4100% D2O0.016.0ambient298
103D HCP0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-4100% D2O0.016.0ambient298
113D 13C HMQC TOCSY0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-4100% D2O0.016.0ambient298
122D 13C CT-TROSY0.5 mM [U-99% 13C; U-99% 15N] RNA (48-MER)-4100% D2O0.016.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX600
2BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
simulated annealing, restrained molecular dynamics with RDCsTopSpin
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number200
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsSTRUCTURE WAS DETERMINED USING TRIPLE RESONANCE, MULTIDIMENSIONAL NMR SPECTROSCOPY AND TROSY-TYPE EXPERIMENTS TO MEASURE RESIDUAL DIPOLAR COUPLINGS
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpinBruker Biospin
2processingTopSpinBruker Biospin
3peak pickingSparkyGoddard
4chemical shift assignmentSparkyGoddard
5structure solutionX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore
6refinementX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore