243D

STRUCTURE OF THE DNA OCTANUCLEOTIDE D(ACGTACGT)2

Summary for 243D

• Entry DOI: 10.2210/pdb243d/pdb
• Descriptor: DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3') (2 entities in total)
• Functional Keywords: a-dna, double helix, dna
• Total number of polymer chains: 1
• Total formula weight: 2426.62

Authors

Wilcock, D.J.,Adams, A.,Cardin, C.J.,Wakelin, L.P.G. (deposition date: 1996-01-10, release date: 1996-02-26, Last modification date: 2024-02-14)

Primary citation

Wilcock, D.J.,Adams, A.,Cardin, C.J.,Wakelin, L.P.
Structure of the DNA octanucleotide d(ACGTACGT)2.
Acta Crystallogr.,Sect.D, 52:481-485, 1996

PubMed Abstract: d(ACGTACGT), C(78)H(84)N(30)O(32)P(7).20H(2)O, M(r) (DNA) = 2170, tetragonal, P4(3)2(1)2 (No 96), a = 42.845 (1), b = 42.845(1), c = 24.804 (1) A, V = 45532.5 (2) A(3), z = 8,lambda(MoKalpha) = 0.71069 A, micro (MoKalpha) = 0.10 mm(-1), T = 295 K, R = 0.18 for 1994 unique reflections between 5.0 and 1.9 A resolution. The self-complementary octanucleotide d(ACGTACGT)(2) has been crystallized and its structure determined to a resolution of 1.9 A. The asymmetric unit consists of a single strand of octamer with 20 water molecules. It is only the second example of an octanucleotide having terminal A.T base pairs whose structure has been determined by X-ray crystallography. The sequence adopts the modified A-type conformation found for all octanucleotide duplexes studied to date with the helix bent by approximately 15 degrees and an average tilt angle of 0 degrees. Unusually the data collection was carried out using a 3 kW molybdenum sealed-tube source. The conformational details are discussed in comparison with other closely related sequences.

PubMed: 15299669
DOI: 10.1107/S0907444995016052

Experimental method

X-RAY DIFFRACTION (1.9 Å)