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Structures of Ruthenium-modified Pseudomonas aeruginosa Azurin and [Ru(2,2’-bipyridine)_2(imidazole)_2)]SO_4•10H_2O

Faham, Salem and Day, Michael W. and Connick, William B. and Crane, Brian R. and Di Bilio, Angel J. and Schaefer, William P. and Rees, Douglas C. and Gray, Harry B. (1999) Structures of Ruthenium-modified Pseudomonas aeruginosa Azurin and [Ru(2,2’-bipyridine)_2(imidazole)_2)]SO_4•10H_2O. Acta Crystallographica Section D: Biological Crystallography, 55 (2). pp. 379-385. ISSN 0907-4449. doi:10.1107/S0907444998010464.

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The crystal structure of Ru(2,2'-bipyridine)_2(imidazole)(His83)azurin (RuAz) has been determined to 2.3 Å ¬resolution by X-ray crystallography. The spectroscopic and thermodynamic properties of both the native protein and [Ru(2,2'-bipyridine)_2(imidazole)_2]^(2+) are maintained in the modified protein. Dark-green RuAz crystals grown from PEG 4000, LiNO_3, CuCl_2 and Tris buffer are monoclinic, belong to the space group C2 and have cell parameters a = 100.6, b = 35.4, c = 74.7 Å and β = 106.5°. In addition, [Ru(2,2'-bipyridine)_2(imidazole)_2]SO_4•10H_2O was synthesized, crystallized and structurally characterized by X-ray crystallography. Red-brown crystals of this complex are monoclinic, space group P2_1/n, unit-cell parameters a = 13.230 (2), b = 18.197 (4), c = 16.126 (4) Å, β = 108.65 (2)°. Stereochemical parameters for the refinement of Ru(2,2'-bipyridine)_2(imidazole)(His83) were taken from the atomic coordinates of [Ru(2,2'-bipyridine)_2(imidazole)_2]^(2+). The structure of RuAz confirms that His83 is the only site of chemical modification and that the native azurin structure is not perturbed significantly by the ruthenium label.

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Rees, Douglas C.0000-0003-4073-1185
Gray, Harry B.0000-0002-7937-7876
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Alternate Title:Structures of Ruthenium-modified Pseudomonas aeruginosa Azurin and [Ru(2,2’-bipyridine)_2(imidazole)2)]SO4•10H2O
Additional Information:© 1999 International Union of Crystallography. Received 29 January 1998; Accepted 27 July 1998. We thank Michael Harrington, Jack Mizoguchi, Larry Henling and Jack Richards for helpful discussions. This work was supported by NIH (DK19038 to HBG; GM45162 to DCR).
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