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Science 14 August 1992:
Vol. 257. no. 5072, pp. 961 - 964
DOI: 10.1126/science.1502561
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Articles

Science, Vol 257, Issue 5072, 961-964
Copyright © 1992 by American Association for the Advancement of Science

articles

Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement

B Shaanan, AM Gronenborn, GH Cohen, GL Gilliland, B Veerapandian, DR Davies, and GM Clore

Laborator of Molecular Biology, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892.

Joint refinement of macromolecules against crystallographic and nuclear magnetic resonance (NMR) observations is presented as a way of combining experimental information from the two methods. The model of interleukin-1 beta derived by the joint x-ray and NMR refinement is shown to be consistent with the experimental observations of both methods and to have crystallographic R value and geometrical parameters that are of the same quality as or better than those of models obtained by conventional crystallographic studies. The few NMR observations that are violated by the model serve as an indicator for genuine differences between the crystal and solution structures. The joint x-ray-NMR refinement can resolve structural ambiguities encountered in studies of multidomain proteins, in which low- to medium-resolution diffraction data can be complemented by higher resolution NMR data obtained for the individual domains.


THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
Molecular Cloning of Rat Spetex2 Family Genes Mapped on Chromosome 15p16, Encoding a 23-Kilodalton Protein Associated with the Plasma Membranes of Haploid Spermatids.
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Molecular Cloning of Rat Spergen-3, a Spermatogenic Cell-Specific Gene-3, Encoding a Novel 75-kDa Protein Bearing EF-Hand Motifs.
H. Iida, H. Yamashita, M. Doiguchi, and T. Kaneko (2004)
J Androl 25, 885-892
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Complementary DNA Cloning and Characterization of Rat spergen-2, a Spermatogenic Cell-Specific Gene 2 Encoding a 56-Kilodalton Nuclear Protein Bearing Ankyrin Repeat Motifs.
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A Single Amino Acid Difference between Human and Monkey Interleukin (IL)-1beta Dictates Effective Binding to Soluble Type II IL-1 Receptor.
D. E. Smith, R. R. Ketchem, H. Moore, Z. Anderson, B. R. Renshaw, D. J. Friend, and J. E. Sims (2002)
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Complementary DNA Cloning and Characterization of Rat spergen-1, a Spermatogenic Cell-Specific Gene-1, Containing a Mitochondria-Targeting Signal.
M. Doiguchi, H. Yamashita, J. Ichinose, T. Mori, Y. Shibata, and H. Iida (2002)
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Spermatid-Specific Expression of Iba1, an Ionized Calcium Binding Adapter Molecule-1, in Rat Testis.
H. Iida, M. Doiguchi, H. Yamashita, S. Sugimachi, J. Ichinose, T. Mori, and Y. Shibata (2001)
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Kinetics of folding of the all-beta sheet protein interleukin-1 beta.
P Varley, A. Gronenborn, H Christensen, P. Wingfield, R. Pain, and G. Clore (1993)
Science 260, 1110-1113
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Science. ISSN 0036-8075 (print), 1095-9203 (online)