Filters
Results 1 - 1 of 1
Results 1 - 1 of 1.
Search took: 0.022 seconds
Banci, Lucia; Bertini, Ivano; Cavallaro, Gabriele; Giachetti, Andrea; Luchinat, Claudio; Parigi, Giacomo, E-mail: ivanobertini@cerm.unifi.it2004
AbstractAbstract
[en] Modules that use paramagnetism-based NMR restraints have been developed and integrated in the well known program for solution structure determination Xplor-NIH; the complete set of such modules is called PARArestraints for Xplor-NIH. Paramagnetism-based restraints are paramagnetic relaxation enhancements, pseudocontact shifts, residual dipolar couplings due to metal and overall magnetic anisotropy, and cross correlation between Curie relaxation and nuclear-nuclear dipolar relaxation. The complete program has been tested by back-calculating NOEs and paramagnetism-based restraints from the X-ray structure of cytochrome c553 from B. pasteurii. Furthermore, the same experimental restraints previously used to determine the solution structure of cytochrome c553 itself, of cytochrome b5, and of calbindin D9k with the program PARAMAGNETIC DYANA, have been used for structure calculations by using PARArestraints for Xplor-NIH. The agreement between the two programs is quite satisfactory and validates both protocols
Primary Subject
Source
Copyright (c) 2004 Kluwer Academic Publishers; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
Journal of Biomolecular NMR; ISSN 0925-2738;
; v. 28(3); p. 249-261

Country of publication
Reference NumberReference Number
INIS VolumeINIS Volume
INIS IssueINIS Issue