Non-uniform sampling of NMR relaxation data

被引:0
作者
Troels E. Linnet
Kaare Teilum
机构
[1] University of Copenhagen,SBiNLab and the Linderstrøm
来源
Journal of Biomolecular NMR | 2016年 / 64卷
关键词
Relaxation dispersion; Non-uniform sampling; Protein NMR; Multi-dimensional decomposition;
D O I
暂无
中图分类号
学科分类号
摘要
The use of non-uniform sampling of NMR spectra may give significant reductions in the data acquisition time. For quantitative experiments such as the measurement of spin relaxation rates, non-uniform sampling is however not widely used as inaccuracies in peak intensities may lead to errors in the extracted dynamic parameters. By systematic reducing the coverage of the Nyquist grid of 15N Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion datasets for four different proteins and performing a full data analysis of the resulting non-uniform sampled datasets, we have compared the performance of the multi-dimensional decomposition and iterative re-weighted least-squares algorithms in reconstructing spectra with accurate peak intensities. As long as a single fully sampled spectrum is included in a series of otherwise non-uniform sampled two-dimensional spectra, multi-dimensional decomposition reconstructs the non-uniform sampled spectra with high accuracy. For two of the four analyzed datasets, a coverage of only 20 % results in essentially the same results as the fully sampled data. As exemplified by other data, such a low coverage is in general not enough to produce reliable results. We find that a coverage level not compromising the final results can be estimated by recording a single full two-dimensional spectrum and reducing the spectrum quality in silico.
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页码:165 / 173
页数:8
相关论文
共 115 条
[1]  
Aoto PC(2014)Accurate scoring of non-uniform sampling schemes for quantitative NMR J Magn Reson 246 31-35
[2]  
Fenwick RB(2013)Enhanced accuracy of kinetic information from CT-CPMG experiments by transverse rotating-frame spectroscopy J Biomol NMR 57 73-82
[3]  
Kroon GJA(1972)A general two-site solution for the chemical exchange produced dependence of T2 upon the carr-Purcell pulse separation J Magn Reson 6 89-105
[4]  
Wright PE(1995)NMRPipe: a multidimensional spectral processing system based on UNIX pipes J Biomol NMR 6 277-293
[5]  
Ban D(1994)Backbone dynamics of a free and phosphopeptide-complexed Src homology 2 domain studied by 15N NMR relaxation Biochemistry 33 5984-6003
[6]  
Mazur A(2013)Nmrglue: an open source Python package for the analysis of multidimensional NMR data J Biomol NMR 55 355-367
[7]  
Carneiro MG(2009)Coupled decomposition of four-dimensional NOESY spectra J Am Chem Soc 131 12970-12978
[8]  
Carver JP(2014)Nonuniform sampling and maximum entropy reconstruction in multidimensional NMR Acc Chem Res 47 708-717
[9]  
Richards RE(2011)Fast multidimensional NMR spectroscopy using compressed sensing Angew Chem Int Ed 50 6548-6551
[10]  
Delaglio F(2007)Ultrahigh-resolution (1)H-(13)C HSQC spectra of metabolite mixtures using nonlinear sampling and forward maximum entropy reconstruction J Am Chem Soc 129 5108-5116