1YN1

Solution structure of the VS ribozyme stem-loop V in the presence of MgCl2


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N CPMG-NOESY0.8 mM to 2.0 mM of unlabeled, 15N, or 13C/15N SL5[10 mM d11-Tris pH 7.0, 50 mM NaCl, 0.05 mM NaN3, 40 mM MgCl2] or [ 10 mM d11-Tris pH 7.0, 0.05 mM NaN3, 20 mM MgCl2]; 90% H2O, 10% D2O or 100% D2O;variable (see sample details)7.0ambient298
23D 13C-EDITED HMQC-NOESY0.8 mM to 2.0 mM of unlabeled, 15N, or 13C/15N SL5[10 mM d11-Tris pH 7.0, 50 mM NaCl, 0.05 mM NaN3, 40 mM MgCl2] or [ 10 mM d11-Tris pH 7.0, 0.05 mM NaN3, 20 mM MgCl2]; 90% H2O, 10% D2O or 100% D2O;variable (see sample details)7.0ambient298
32D HNN-COSY0.8 mM to 2.0 mM of unlabeled, 15N, or 13C/15N SL5[10 mM d11-Tris pH 7.0, 50 mM NaCl, 0.05 mM NaN3, 40 mM MgCl2] or [ 10 mM d11-Tris pH 7.0, 0.05 mM NaN3, 20 mM MgCl2]; 90% H2O, 10% D2O or 100% D2O;variable (see sample details)7.0ambient298
43D HCCH E.COSY0.8 mM to 2.0 mM of unlabeled, 15N, or 13C/15N SL5[10 mM d11-Tris pH 7.0, 50 mM NaCl, 0.05 mM NaN3, 40 mM MgCl2] or [ 10 mM d11-Tris pH 7.0, 0.05 mM NaN3, 20 mM MgCl2]; 90% H2O, 10% D2O or 100% D2O;variable (see sample details)7.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
SIMULATED ANNEALING; MOLECULAR DYNAMICSConformer 1 represents the minimized average structure, the 10 following structures represent the ensemble of low-energy structuresX-PLOR
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number69
Conformers Submitted Total Number11
Representative Model1 (minimized average structure)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionX-PLORNIH-2.0.6Brunger, A.
2data analysisNMRPipemost currentDelaglio, F.
3data analysisNMRView5.0.3Johnson, B.
4data analysisMOLMOL2K.2Koradi, R.
5refinementX-PLORNIH-2.0.6Brunger, A.