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首页> 外文期刊>Acta crystallographica. Section D, Structural biology. >Ultrahigh‐resolution centrosymmetric crystal structure of Z‐DNA reveals the massive presence of alternate conformations
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Ultrahigh‐resolution centrosymmetric crystal structure of Z‐DNA reveals the massive presence of alternate conformations

机译：超高分辨率应承担的中心对称的晶体Z检测DNA的结构揭示了大量存在备用的构象

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摘要

The self‐complementary d(CGCGCG) hexanucleotide was synthesized with both d ‐2′‐deoxyribose (the natural enantiomer) and l ‐2′‐deoxyribose, and the two enantiomers were mixed in racemic (1:1) proportions and crystallized, producing a new crystal form with C 2/ c symmetry that diffracted X‐rays to 0.78?? resolution. The structure was solved by direct, dual‐space and molecular‐replacement methods and was refined to an R factor of 13.86%. The asymmetric unit of the crystal contains one Z‐DNA duplex and three Mg 2+ sites. The crystal structure is comprised of both left‐handed ( d ‐form) and right‐handed ( l ‐form) Z‐DNA duplexes and shows an unexpectedly high degree of structural disorder, which is manifested by the presence of alternate conformations along the DNA backbone chains as well as at four nucleobases (including one base pair) modelled in double conformations. The crystal packing of the presented d / l ‐DNA–Mg 2+ structure exhibits novel DNA hydration patterns and an unusual arrangement of the DNA helices in the unit cell. The paper describes the structure in detail, concentrating on the mode of disorder, and compares the crystal packing of the racemic d(CGCGCG) 2 duplex with those of other homochiral and heterochiral Z‐DNA structures.
机译：自我检测d (CGCGCG) hexanucleotide互补合成与d量2的检测脱氧核糖(自然对映体)和l 2”高脱氧核糖外消旋的两个对映体混合(1:1)比例和结晶,产生一个新的水晶形成2 C / C对称衍射X射线应承担的0.78 ? ?解决了直接、对偶空间分子的替代方法和精制13.86%的R因子。晶体包含一个Z的DNA双工和2 + 3毫克网站。离开递给(d形式)和优先(l形式)Z的DNA工器和显示了一个意外高度的结构性障碍,这是通过交替的存在沿着DNA骨架链构象四个碱基(包括一个基地一对)模型在双构象。水晶的包装提出了d / l DNA-Mg 2 +DNA水化结构展示小说模式和一个不寻常的DNA螺旋的安排单位细胞。在细节,专注于疾病的模式,和比较了水晶外消旋的包装d (CGCGCG)与其他homochiral 2双然后heterochiral Z DNA结构。

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