Journal
NUCLEIC ACIDS RESEARCH
Volume 39, Issue 14, Pages 6238-6248Publisher
OXFORD UNIV PRESS
DOI: 10.1093/nar/gkr202
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Funding
- NIH, National Cancer Institute, Center for Cancer Research
- National Cancer Institute, National Institutes of Health [HHSN2612008000001E]
- Polish Ministry of Science and Higher Education [N N204 005136]
- National Center for Research Resources at the National Institutes of Health, NE-CAT beam line [RR-15301]
- U.S. Department of Energy, Office of Basic Energy Sciences, Advanced Photon Source [W-31-109-Eng-38]
- Budget of the National Cancer Institute
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The crystal structure of a Z-DNA hexamer duplex d(CGCGCG)(2) determined at ultra high resolution of 0.55 A and refined without restraints, displays a high degree of regularity and rigidity in its stereochemistry, in contrast to the more flexible B-DNA duplexes. The estimations of standard uncertainties of all individually refined parameters, obtained by full-matrix least-squares optimization, are comparable with values that are typical for small-molecule crystallography. The Z-DNA model generated with ultra high-resolution diffraction data can be used to revise the stereochemical restraints applied in lower resolution refinements. Detailed comparisons of the stereochemical library values with the present accurate Z-DNA parameters, shows in general a good agreement, but also reveals significant discrepancies in the description of guanine-sugar valence angles and in the geometry of the phosphate groups.
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