Related ArticlesOptimizing resolution in multidimensional NMR by three-way decomposition.
J Biomol NMR. 2003 Oct;27(2):165-73
Authors: Orekhov VY, Ibraghimov I, Billeter M
Resolution depends on the number of points sampled in a FID; in indirectly detected dimensions it is an important determinant of the total experiment time. Based on the high redundancy present in NMR data, we propose the following timesaving scheme for three-dimensional spectra. An extensive grid of discrete t1- and t2-values is used, which increases resolution while preserving the spectral width. Total experiment time is reduced by avoiding the recording of t3-FIDs for selected pairs of t1 and t2; typically the recording is omitted for about 75% of the (t1,t2) combinations. These data sets are referred to as sparse, and post-experimental processing making optimal use of spectral redundancy provides the missing, non-recorded data. We have previously shown that three-way decomposition (TWD) within the MUNIN approach provides a practical way to process dense NMR data sets. Here, a novel TWD algorithm [Ibraghimov, (2002) Numer. Linear Algebra Appl. 9, 551-565] is used to complement a sparsely recorded time-domain data set by providing the missing FIDs for all (t1,t2) combinations omitted in the experiment. A necessary condition is that for each t1-value at least a few FIDs are recorded, and similar for each t2-value. The method is demonstrated on non-uniformly sampled (15)N-NOESY-HSQC data sets recorded for the 14 kD protein azurin. The spectra obtained by TWD, reconstruction and ordinary transform to frequency-domain are, in spite of the large number of signals and the high dynamic range typical for NOESYs, highly similar to a corresponding reference spectrum, for which all (t1,t2) combinations were recorded.
Structural Characterisation of a Histone Domain by Projection-Decomposition
Structural Characterisation of a Histone Domain by Projection-Decomposition
Publication year: 2012
Source: Journal of Magnetic Resonance, Available online 23 February 2012</br>
Jonas*Fredriksson, Wolfgang*Bermel, Martin*Billeter</br>
We demonstrate that two projection experiments, aN-HSQC–NOESY–N-HSQC and aC-HSQC–NOESY–N-HSQC, recorded for a histone domain from yeast, contain enough information to support a structural characterisation of the protein. At the temperature used, 298K, the histone domain exhibits a very high extent of chemical shift degeneracy that is uncharacteristic for...
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02-25-2012 04:20 PM
[NMR paper] High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection.
High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection.
Related Articles High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection.
J Am Chem Soc. 2005 Sep 14;127(36):12528-36
Authors: Eghbalnia HR, Bahrami A, Tonelli M, Hallenga K, Markley JL
We describe a novel approach to the rapid collection and processing of multidimensional NMR data: "high-resolution iterative frequency identification for NMR" (HIFI-NMR). As with...
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12-01-2010 06:56 PM
[NMR paper] Accuracy and robustness of three-way decomposition applied to NMR data.
Accuracy and robustness of three-way decomposition applied to NMR data.
Related Articles Accuracy and robustness of three-way decomposition applied to NMR data.
J Magn Reson. 2005 Jun;174(2):188-99
Authors: Luan T, Orekhov VY, Gutmanas A, Billeter M
Three-way decomposition is a very versatile analysis tool with applications in a variety of protein NMR fields. It has been used to extract structural data from 3D NOESYs, to determine relaxation rates in large proteins, to identify ligand binding in screening for lead compounds, and to complement...
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11-25-2010 08:21 PM
[NMR paper] Resolution enhancement in multidimensional solid-state NMR spectroscopy of proteins u
Resolution enhancement in multidimensional solid-state NMR spectroscopy of proteins using spin-state selection.
Related Articles Resolution enhancement in multidimensional solid-state NMR spectroscopy of proteins using spin-state selection.
J Am Chem Soc. 2003 Oct 1;125(39):11816-7
Authors: Duma L, Hediger S, Brutscher B, Böckmann A, Emsley L
We show that the resolution of homonuclear multidimensional solid-state NMR correlation experiments can be significantly improved using transition selection and spin-state-selective polarization transfer...
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11-24-2010 09:16 PM
[NMR paper] A high-resolution technique for multidimensional NMR spectroscopy.
A high-resolution technique for multidimensional NMR spectroscopy.
Related Articles A high-resolution technique for multidimensional NMR spectroscopy.
IEEE Trans Biomed Eng. 1998 Jan;45(1):78-86
Authors: Li Y, Razavilar J, Liu KJ
In this paper, a scheme for estimating frequencies and damping factors of multidimensional nuclear magnetic resonance (NMR) data is presented, multidimensional NMR data can be modeled as the sum of several multidimensional damped sinusoids. The estimated frequencies and damping factors of multidimensional NMR data...
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11-17-2010 11:06 PM
Optimizing 19F NMR protein spectroscopy by fractional biosynthetic labeling
Abstract In protein NMR experiments which employ nonnative labeling, incomplete enrichment is often associated with inhomogeneous line broadening due to the presence of multiple labeled species. We investigate the merits of fractional enrichment strategies using a monofluorinated phenylalanine species, where resolution is dramatically improved over that achieved by complete enrichment. In NMR studies of calmodulin, a 148 residue calcium binding protein, 19F and 1H-15N HSQC spectra reveal a significant extent of line broadening and the appearance of minor conformers in the presence of...
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08-25-2010 03:51 PM
Optimizing (19)F NMR protein spectroscopy by fractional biosynthetic labeling.
Optimizing (19)F NMR protein spectroscopy by fractional biosynthetic labeling.
Related Articles Optimizing (19)F NMR protein spectroscopy by fractional biosynthetic labeling.
J Biomol NMR. 2010 Aug 24;
Authors: Kitevski-Leblanc JL, Evanics F, Scott Prosser R
In protein NMR experiments which employ nonnative labeling, incomplete enrichment is often associated with inhomogeneous line broadening due to the presence of multiple labeled species. We investigate the merits of fractional enrichment strategies using a monofluorinated phenylalanine species,...
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08-25-2010 02:04 PM
[NMR paper] High-resolution structure of the oligomerization domain of p53 by multidimensional NM
High-resolution structure of the oligomerization domain of p53 by multidimensional NMR.
Related Articles High-resolution structure of the oligomerization domain of p53 by multidimensional NMR.
Science. 1994 Jul 15;265(5170):386-91
Authors: Clore GM, Omichinski JG, Sakaguchi K, Zambrano N, Sakamoto H, Appella E, Gronenborn AM
The three-dimensional structure of the oligomerization domain (residues 319 to 360) of the tumor suppressor p53 has been solved by multidimensional heteronuclear magnetic resonance (NMR) spectroscopy. The domain forms a...
Optimizing resolution in multidimensional NMR by three-way decomposition.
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