Complementarity of Neutron and Ultrahigh Resolution Synchrotron X-ray Protein Crystallography Studies: Results with Concanavalin A at Cryo and Room Temperature

作者: J.R. Helliwell , H.J. Price , A. Deacon , J. Raftery , J. Habash

DOI: 10.12693/APHYSPOLA.101.583

关键词: Concanavalin ASide chainX-ray crystallographyX-rayProtein crystallizationMaterials scienceCrystal structureSynchrotronNuclear magnetic resonanceNeutronCrystallography

摘要: The complementarity of synchrotron derived ultrahigh resolution X-ray and neutron protein crystallography is explored via an ensemble plant lectin concanavalin A crystal structures. Thus a resume study cryo 0.94 (+X-ray) 2.4 structure at room temperature made these are then compared in their efficiency to determine the positions bound solvent atoms i.e. as hydrogens or deuteriums. First results also presented comparisons two structures, new 0.92 structure. variability very fine detail, described; this multiple occupancies side chains. Overall, one can see that "complete" definition, with today's experimental capabilities, possible include variations.

参考文章(4)
Martin Karplus, Dennis Vitkup, Dagmar Ringe, Gregory A. Petsko, Solvent mobility and the protein 'glass' transition. Nature Structural & Molecular Biology. ,vol. 7, pp. 34- 38 ,(2000) , 10.1038/71231
Jarjis Habash, James Raftery, Susanne Weisgerber, Alberto Cassetta, Mogens S. Lehmann, Peter Hghj, Clive Wilkinson, John W. Campbell, John R. Helliwell, NEUTRON LAUE DIFFRACTION STUDY OF CONCANAVALIN A : THE PROTON OF ASP28 Journal of the Chemical Society, Faraday Transactions. ,vol. 93, pp. 4313- 4317 ,(1997) , 10.1039/A704143H
A. Deacon, T. Gleichmann, A. J. Kalb (Gilboa), H. Price, J. Raftery, G. Bradbrook, J. Yariv, J. R. Helliwell, The structure of concanavalin A and its bound solvent determined with small-molecule accuracy at 0.94 [Aring ]resolution Journal of the Chemical Society, Faraday Transactions. ,vol. 93, pp. 4305- 4312 ,(1997) , 10.1039/A704140C
Jarjis Habash, James Raftery, Rachel Nuttall, Helen J. Price, Clive Wilkinson, A. Joseph Kalb (Gilboa), John R. Helliwell, Direct determination of the positions of the deuterium atoms of the bound water in ­concanavalin A by neutron Laue crystallography Acta Crystallographica Section D-biological Crystallography. ,vol. 56, pp. 541- 550 ,(2000) , 10.1107/S0907444900002353