I have been trying to elucidate the 3D structure of oxidized glutathione (M.Wt= 612.63 g/mol) with the help of roesy distance restrains. However, the intensity of roesy peaks is coming out to be 0.Instrument: Bruker Avance II (2005 model) spectrometer. operating frequency: 400 MHz Molar concentration of GSSG= 200mM, pH=7.4Mixing time= 600msecRelaxation delay= 3 Secprocessor= ACD/NMR processorPlease give some suggestions to avail appropriate peak intensity.
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Peak height versus peak volume
Given a standard NOESY-based protein structure determination: Does anyone have any information on the benefits of measuring peak intensity by a volume integration method rather than simply measuring the peak height.
Obviously integration is theoretically more accurate, but does it make any difference to the quality of the structures produced? especially if peak lineshapes are comparable?
I was hoping to find some study comparing structures produced by both methods.....
I'm also curious about the benefits of distance-calbrating NOEs to a curve rather than simply putting restraints...
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09-15-2015 07:48 PM
[Question from NMRWiki Q&A forum] Odd 1D-ROESY Result
Odd 1D-ROESY Result
Hello,
I've been trying to assign peaks in a proton spectrum of a highly dynamic ring, namely 2-deutero-diselenane. The structure is like 1,3-dioxane but with two seleniums instead:http://en.wikipedia.org/wiki/1,3-Dioxane
The experiment is at low temperature where exchange is slow on the chemical shift timescale but probably fast on the relaxation timescale. What I can't figure out is that when I irradiate the H2 signals in a 1D-ROESY, I see the following peaks:-Negative irradiated H2.-Negative peak for non-irradiated H2, due to exchange due to...
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[Question from NMRWiki Q&A forum] Odd 1D-ROESY Result
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Hello,
I've been trying to assign peaks in a proton spectrum of a highly dynamic ring, namely 2-deutero-diselenane. The structure is like 1,3-dioxane but with two seleniums instead:http://en.wikipedia.org/wiki/1,3-Dioxane
The experiment is at low temperature where exchange is slow on the chemical shift timescale but probably fast on the relaxation timescale. What I can't figure out is that when I irradiate the H2 signals in a 1D-ROESY, I see the following peaks:-Negative irradiated H2.-Negative peak for non-irradiated H2, due to exchange due to...
nmrlearner
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08-08-2011 01:52 AM
[NMR paper] Potential bias in NMR relaxation data introduced by peak intensity analysis and curve
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J Biomol NMR. 2001 Sep;21(1):1-9
Authors: Viles JH, Duggan BM, Zaborowski E, Schwarzinger S, Huntley JJ, Kroon GJ, Dyson HJ, Wright PE
We present an evaluation of the accuracy and precision of relaxation rates calculated using a variety of methods, applied to data sets obtained for several very different protein systems. We...
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A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel...
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11-17-2010 11:15 PM
peak intensity vs number of scans
Hi,
I have a question regarding how the peak intensities change when with increase in number of scans when the data is collected on a Varian NMR spectrometer. Suppose I collect a 15N-1H HSQC spectra with 8 scans and then collect the same spectra with 16 scans, would the peak intensities be double in the 16 scan spectra as compared to the 8 scan spectra? Does anyone know how the varian spectrometer scales the intensities according to the number of scans? Any suggestion or reply to my query will be extremely useful and greatly appreciated.
Thanks.
aish1982
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08-08-2008 11:56 PM
peak intensity vs number of scans
Hi,
I have a question regarding how the peak intensities change when with increase in number of scans when the data is collected on a Varian NMR spectrometer. Suppose I collect a 15N-1H HSQC spectra with 8 scans and then collect the same spectra with 16 scans, would the peak intensities be double in the 16 scan spectra as compared to the 8 scan spectra? Does anyone know how the varian spectrometer scales the intensities according to the number of scans? Any suggestion or reply to my query will be extremely useful and greatly appreciated.
Thanks.