Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F16%3A10337725" target="_blank" >RIV/00216208:11320/16:10337725 - isvavai.cz</a>

Alternative codes found

RIV/00216224:14740/16:00090497

Result on the web

<a href="http://dx.doi.org/10.1016/j.jmr.2016.02.016" target="_blank" >http://dx.doi.org/10.1016/j.jmr.2016.02.016</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jmr.2016.02.016" target="_blank" >10.1016/j.jmr.2016.02.016</a>

Result language

angličtina

Original language name

Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies

Original language description

Standard spectral density mapping protocols, well suited for the analysis of N-15 relaxation rates, introduce significant systematic errors when applied to C-13 relaxation data, especially if the dynamics is dominated by motions with short correlation times (small molecules, dynamic residues of macromolecules). A possibility to improve the accuracy by employing cross-correlated relaxation rates and on measurements taken at several magnetic fields has been examined. A suite of protocols for analyzing such data has been developed and their performance tested. Applicability of the proposed protocols is documented in two case studies, spectral density mapping of a uniformly labeled RNA hairpin and of a selectively labeled disaccharide exhibiting highly anisotropic tumbling. Combination of auto- and cross-correlated relaxation data acquired at three magnetic fields was applied in the former case in order to separate effects of fast motions and conformational or chemical exchange. An approach using auto-correlated relaxation rates acquired at five magnetic fields, applicable to anisotropically moving molecules, was used in the latter case. The results were compared with a more advanced analysis of data obtained by interpolation of auto-correlated relaxation rates measured at seven magnetic fields, and with the spectral density mapping of cross-correlated relaxation rates. The results showed that sufficiently accurate values of auto- and cross-correlated spectral density functions at zero and C-13 frequencies can be obtained from data acquired at three magnetic fields for uniformly C-13-labeled molecules with a moderate anisotropy of the rotational diffusion tensor. Analysis of auto-correlated relaxation rates at five magnetic fields represents an alternative for molecules undergoing highly anisotropic motions.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BO - Biophysics

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Magnetic Resonance

ISSN

1090-7807

e-ISSN

—

Volume of the periodical

266

Issue of the periodical within the volume

MAY 2016

Country of publishing house

US - UNITED STATES

Number of pages

18

Pages from-to

23-40

UT code for WoS article

000375510100004

EID of the result in the Scopus database

2-s2.0-84961669795