Journal: Nucleic Acids Res. / Year: 2004 Title: Change of RNase P RNA function by single base mutation correlates with perturbation of metal ion binding in P4 as determined by NMR spectroscopy Authors: Schmitz, M.
Mass: 161.116 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: CoH18N6
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D NOESY
1
2
2
2D NOESY
2
3
3
2D NOESY
1
4
2
DQF-COSY
1
5
2
31P-1H-HETERO-COSY
1
6
2
31P-1H-HETERO-TOCSY-NOESY
NMR details
Text: The structure was determined using standard 2D homonuclear techniques as well as 13C and 31P heteronuclear experiments performed at natural abundance. Intermolecular NOE crosspeaks between RNA ...Text: The structure was determined using standard 2D homonuclear techniques as well as 13C and 31P heteronuclear experiments performed at natural abundance. Intermolecular NOE crosspeaks between RNA protons and cobalt (III) hexammine protons and intermolecular distance constraints derived thereof were used to determine the site of cobalt (III) hexammine binding.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 600 MHz
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Processing
NMR software
Name
Version
Developer
Classification
XwinNMR
1.2
Bruker
collection
NMRPipe
2.1
F. Delaglio
processing
X-PLOR
3.1
A. Bruenger
structuresolution
X-PLOR
3.1
A. Bruenger
refinement
Refinement
Method: restrained molecular dynamics, simulated annealing / Software ordinal: 1 Details: The average structure is based on the superposition of 18 structures after refinement. The average RMS deviation between the ensemble and the average structure is 1.87 Angstrom. A total of ...Details: The average structure is based on the superposition of 18 structures after refinement. The average RMS deviation between the ensemble and the average structure is 1.87 Angstrom. A total of 261 NOE-derived distance constraints, 246 dihedral constraints and 48 distance constraints from hydrogen bonds were used in refinement. 12 NOE derived intermolecular distance constraints were used to localize the bound cobalt (III) hexammine.
NMR representative
Selection criteria: minimized average structure
NMR ensemble
Conformers submitted total number: 1
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