Eur J Biochem. 1993 Apr 15;213(2):673-82.

Orthorhombic crystal structure of the A-DNA octamer d(GTACGTAC). Comparison with the tetragonal structure.

Langlois d'Estaintot B, Dautant A, Courseille C, Precigoux G.

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Laboratoire de Cristallographie et de Physique Cristalline, Unité de Recherche Associée 144, Centre National de la Recherche Scientifique, Université de Bordeaux I, France.

Abstract

The X-ray crystal structure of the double-helical A-DNA octanucleotide d(GTACGTAC) has been solved by molecular replacement and refined to a resolution of 0.219 nm. The final R-factor is equal to 16.1% for 1516 observed reflections with F > 4 sigma(F). The sequence crystallizes as an A-DNA-type double helix in the orthorhombic space group P2(1)2(1)2, with one duplex molecule solvated by 66 water molecules in the asymmetric unit. Cell parameters are a = 3.860 nm, b = 5.082 nm, c = 2.174 nm. It is the first time that such a crystal form has been observed. This orthorhombic structure has been compared with the tetragonal structure of the same oligonucleotide. It adopts a bent structure with an unusual packing between symmetry-related molecules.

PMID:: 8477741; [PubMed - indexed for MEDLINE]

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Structures reported by this article

Orthorhombic Crystal Structure Of The A-Dna Octamer D(Gtacgtac). Comparison With The Tetragonal Structure

PDB: 197D

Source: synthetic construct

Method: X-Ray Diffraction

Resolution: 2.19 Å

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