Utilization of a very small anomalous diffraction signal provided by sulfur atoms of the cysteine and methionine residues or by phosphorus atoms of nucleic acids, intrinsically present in all proteins or RNA/DNA can be successfully used to solve crystal structures of proteins. This approach, in part pioneered by us, is currently gaining increasing popularity and becomes a routine technique in the practice of macromolecular crystallography. The diffraction data to extremely high resolution in the range of 0.55-0.7 angstrom were measured using synchrotron radiation from crystals of oligonucleotides and oligopeptides, and the refined models revealeed the unprecedented structural details of the investigated molecules including electron densities at the sigma bonds between atoms. The observed very fine features in this structures will serve to improve the stereochemical libraries used for routine refinement of protein crystal structures at lower resolution. We participated in several collaborative structural projects on various biologically important proteins, such as fluorescenty proteins used as biomarkers, human mitochindrial helicase, rhizobium fucosyltransferase and plant S-adenosyl-homocysteine hydrolase.

National Institute of Health (NIH)
National Cancer Institute (NCI)
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National Cancer Institute Division of Basic Sciences
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Dauter, Zbigniew; Jaskolski, Mariusz (2014) Missed opportunities in crystallography. FEBS J 281:4010-20
Domagalski, Marcin J; Zheng, Heping; Zimmerman, Matthew D et al. (2014) The quality and validation of structures from structural genomics. Methods Mol Biol 1091:297-314
Pletnev, Sergei; Subach, Fedor V; Verkhusha, Vladislav V et al. (2014) The rotational order-disorder structure of the reversibly photoswitchable red fluorescent protein rsTagRFP. Acta Crystallogr D Biol Crystallogr 70:31-9
Jaskolski, Mariusz; Dauter, Zbigniew; Wlodawer, Alexander (2014) A brief history of macromolecular crystallography, illustrated by a family tree and its Nobel fruits. FEBS J 281:3985-4009
Rajashankar, Kanagalaghatta; Dauter, Zbigniew (2014) Data collection for crystallographic structure determination. Methods Mol Biol 1140:211-37
Luo, Zhipu; Rajashankar, Kanagalaghatta; Dauter, Zbigniew (2014) Weak data do not make a free lunch, only a cheap meal. Acta Crystallogr D Biol Crystallogr 70:253-60
Sliwiak, Joanna; Jaskolski, Mariusz; Dauter, Zbigniew et al. (2014) Likelihood-based molecular-replacement solution for a highly pathological crystal with tetartohedral twinning and sevenfold translational noncrystallographic symmetry. Acta Crystallogr D Biol Crystallogr 70:471-80
Dauter, Zbigniew; Weiss, Manfred S; Einspahr, Howard et al. (2013) Expectation bias and information content. Acta Crystallogr D Biol Crystallogr 69:141
Dauter, Zbigniew (2013) Placement of molecules in (not out of) the cell. Acta Crystallogr D Biol Crystallogr 69:2-4
Liebschner, Dorothee; Dauter, Miroslawa; Brzuszkiewicz, Anna et al. (2013) On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin. Acta Crystallogr D Biol Crystallogr 69:1447-62

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