title: X-ray crystallographic analysis of the hydration of A- and B-form DNA at atomic resolution.
abstract: We have determined single crystal structures of an A-DNA decamer and a B-DNA dodecamer at 0.83 and 0.95 A, respectively. The resolution of the former is the highest reported thus far for any right-handed nucleic acid duplex and the quality of the diffraction data allowed determination of the structure with direct methods. The structures reveal unprecedented details of DNA fine structure and hydration; in particular, we have reexamined the overall hydration of A- and B-form DNA, the distribution of water around phosphate groups, and features of the water structure that may underlie the B to A transition.
authors.affiliation: Department of Molecular Pharmacology and Biological Chemistry and The Drug Discovery Program, Northwestern University Medical School, Chicago, IL 60611, USA. m-egli@nwu.edu
authors.forename: M
authors.initials: M
authors.lastname: Egli
authors.forename: V
authors.initials: V
authors.lastname: Tereshko
authors.forename: M
authors.initials: M
authors.lastname: Teplova
authors.forename: G
authors.initials: G
authors.lastname: Minasov
authors.forename: A
authors.initials: A
authors.lastname: Joachimiak
authors.forename: R
authors.initials: R
authors.lastname: Sanishvili
authors.forename: C M
authors.initials: CM
authors.lastname: Weeks
authors.forename: R
authors.initials: R
authors.lastname: Miller
authors.forename: M A
authors.initials: MA
authors.lastname: Maier
authors.forename: H
authors.initials: H
authors.lastname: An
authors.forename: P
authors.initials: P
authors.lastname: Dan Cook
authors.forename: M
authors.initials: M
authors.lastname: Manoharan
mesh_terms: D018360:Crystallography, X-Ray / Q000379:methods; D004247:DNA / Q000737:chemistry* / Q000648:ultrastructure; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides / Q000737:chemistry*; D010710:Phosphates / Q000737:chemistry; D013096:Spermine / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D009838:Oligodeoxyribonucleotides; D010710:Phosphates; D014867:Water; D013096:Spermine; D004247:DNA