期刊
JOURNAL OF MAGNETIC RESONANCE
卷 180, 期 1, 页码 93-104出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jmr.2006.01.010
关键词
data analysis; CPMG; protein dynamics; NMR spin-relaxation
资金
- NIGMS NIH HHS [F32-GM66599-03, R01-GM070823] Funding Source: Medline
This work examines the robustness of fitting of parameters describing conformational exchange (k(ex), P-a/b, and Delta omega) processes from CPMG relaxation dispersion data. We have analyzed the equations describing conformational exchange processes for the intrinsic inter-dependence of their parameters that leads to the existence of multiple equivalent solutions, which equally satisfy the experimental data. We have used Monte-Carlo simulations and fitting to the synthetic data sets as well as the direct 3-D mapping of the parameter space of k(ex), p(a/b), and Delta omega to quantitatively assess the degree of the parameter inter-dependence. The demonstrated high correlation between parameters can preclude accurate dynamics parameter estimation from NMR spin-relaxation data obtained at a single static magnetic field. The strong parameter inter-dependence can readily be overcome through acquisition of spin-relaxation data at more than one static magnetic field thereby allowing accurate assessment of conformational exchange properties. (c) 2006 Elsevier Inc. All rights reserved.
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