Abstract

The structure of tetragonal hen egg-white lysozyme soaked in InCl3 solution has been determined to a resolution of 1.43 A and refined isotropically to the final value of R =14.21. Structures of complex anions cis-dichloro-cis-dihydroxo[InCl2(OH)2(H2O)2] , cis-dichloro-cis-dihydroxo[InCl 2 (OH)2 (H2O)(OD2 Asp-18)] 2and trans-dichloro-transdihydroxo-[InCl2(OH)2(O Leu-129)2] 3have been described. These anions differ from products of hydrolysis of InCl3 in water described in other X-ray diffraction studies [1]. The structure has been refined by a novel multisolution HipHop refinement method [2] exploring the conformational landscape bymodification of the phases by introduction of watermolecules into the model, followed by automated SHELXH refinement [3] and removal of water molecules that do not comply with a minimal electron density, ball shape and a distance fromprotein. Programs used are available free on http://www.img.cas.cz/ hiphop.

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