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26th European Crystallographic Meeting, ECM 26, Darmstadt, 2010 Acta Cryst. (2010). A66, Page s129 anhydrous and hydrated models for the complex, the subunits, and the assembly from the constituents [4-8]. Moreover, the crystallographic availability of this MDa complex provides the opportunity to apply modern scattering and hydrodynamic modeling approaches to such huge entities, including assemblage of the complex from its constituents, and to check the extensive reduction steps to be adopted for modeling. We tackled the following problems: (i) comparison of the SAXSor EM-based conventional or ab initio models for the HBL complex with up-to-date crystallographic data, (ii) modelling the HBL complex from constituents, (iii) realistic assumptions or predictions regarding the contribution of hydration, (iv) search for any discrepancies between solution and crystal data. For modelling, primarily the programs DAMMIN, HYDRO, HYDCRYST and several modifications of the approaches were applied, in addition to usage of templates and superimpositions; results were checked by prediction of structural and hydrodynamic data. The most serious problems arose from amino acids missing in the crystallographic data base. We eventually managed to explain the observed discrepancies by the residues absent in the crystal structure of the linker chains; these residues are obviously located in the central core of the complex.

Bacterial conjugation in Gram-positive bacteria: impact of Tra proteins from plasmid pIP501