Non-uniform sampling of NMR relaxation data

被引:28
作者
Linnet, Troels E. [1 ,2 ]
Teilum, Kaare [1 ,2 ]
机构
[1] Univ Copenhagen, Dept Biol, SBiNLab, Ole Maaloes Vej 5, DK-2200 Copenhagen N, Denmark
[2] Univ Copenhagen, Dept Biol, Linderstrom Lang Ctr Prot Sci, Ole Maaloes Vej 5, DK-2200 Copenhagen N, Denmark
关键词
Relaxation dispersion; Non-uniform sampling; Protein NMR; Multi-dimensional decomposition; MAXIMUM-ENTROPY RECONSTRUCTION; MULTIDIMENSIONAL NMR; CHEMICAL-EXCHANGE; SPECTROSCOPY; DYNAMICS; PROTEIN; SENSITIVITY; SPECTRA; DOMAIN; DECOMPOSITION;
D O I
10.1007/s10858-016-0020-6
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
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 N-15 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.
引用
收藏
页码:165 / 173
页数:9
相关论文
共 38 条
[1]   Accurate scoring of non-uniform sampling schemes for quantitative NMR [J].
Aoto, Phillip C. ;
Fenwick, R. Bryn ;
Kroon, Gerard J. A. ;
Wright, Peter E. .
JOURNAL OF MAGNETIC RESONANCE, 2014, 246 :31-35
[2]   Enhanced accuracy of kinetic information from CT-CPMG experiments by transverse rotating-frame spectroscopy [J].
Ban, David ;
Mazur, Adam ;
Carneiro, Marta G. ;
Sabo, T. Michael ;
Giller, Karin ;
Koharudin, Leonardus M. I. ;
Becker, Stefan ;
Gronenborn, Angela M. ;
Griesinger, Christian ;
Lee, Donghan .
JOURNAL OF BIOMOLECULAR NMR, 2013, 57 (01) :73-82
[3]   GENERAL 2-SITE SOLUTION FOR CHEMICAL EXCHANGE PRODUCED DEPENDENCE OF T2 UPON CARR-PURCELL PULSE SEPARATION [J].
CARVER, JP ;
RICHARDS, RE .
JOURNAL OF MAGNETIC RESONANCE, 1972, 6 (01) :89-&
[4]   NMRPIPE - A MULTIDIMENSIONAL SPECTRAL PROCESSING SYSTEM BASED ON UNIX PIPES [J].
DELAGLIO, F ;
GRZESIEK, S ;
VUISTER, GW ;
ZHU, G ;
PFEIFER, J ;
BAX, A .
JOURNAL OF BIOMOLECULAR NMR, 1995, 6 (03) :277-293
[5]   BACKBONE DYNAMICS OF A FREE AND A PHOSPHOPEPTIDE-COMPLEXED SRC HOMOLOGY-2 DOMAIN STUDIED BY N-15 NMR RELAXATION [J].
FARROW, NA ;
MUHANDIRAM, R ;
SINGER, AU ;
PASCAL, SM ;
KAY, CM ;
GISH, G ;
SHOELSON, SE ;
PAWSON, T ;
FORMANKAY, JD ;
KAY, LE .
BIOCHEMISTRY, 1994, 33 (19) :5984-6003
[6]   Nmrglue: an open source Python']Python package for the analysis of multidimensional NMR data [J].
Helmus, Jonathan J. ;
Jaroniec, Christopher P. .
JOURNAL OF BIOMOLECULAR NMR, 2013, 55 (04) :355-367
[7]   Coupled Decomposition of Four-Dimensional NOESY Spectra [J].
Hiller, Sebastian ;
Ibraghimov, Ilghis ;
Wagner, Gerhard ;
Orekhov, Vladislav Y. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (36) :12970-12978
[8]   Nonuniform Sampling and Maximum Entropy Reconstruction in Multidimensional NMR [J].
Hoch, Jeffrey C. ;
Maciejewski, Mark W. ;
Mobli, Mehdi ;
Schuyler, Adam D. ;
Stern, Alan S. .
ACCOUNTS OF CHEMICAL RESEARCH, 2014, 47 (02) :708-717
[9]   Fast Multidimensional NMR Spectroscopy Using Compressed Sensing [J].
Holland, Daniel J. ;
Bostock, Mark J. ;
Gladden, Lynn F. ;
Nietlispach, Daniel .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (29) :6548-6551
[10]   Ultrahigh-resolution 1H-13C HSQC spectra of metabolite mixtures using nonlinear sampling and forward maximum entropy reconstruction [J].
Hyberts, Sven G. ;
Heffron, Gregory J. ;
Tarragona, Nestor G. ;
Solanky, Kirty ;
Edmonds, Katherine A. ;
Luithardt, Harry ;
Fejzo, Jasna ;
Chorev, Michael ;
Aktas, Huseyin ;
Colson, Kimberly ;
Falchuk, Kenneth H. ;
Halperin, Jose A. ;
Wagner, Gerhard .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (16) :5108-5116