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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >The hydration structure of a Z-DNA hexameric duplex determined by a neutron diffraction technique
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The hydration structure of a Z-DNA hexameric duplex determined by a neutron diffraction technique

机译：的水化结构Z-DNA hexameric双工由中子衍射技术

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摘要

In order to reveal the hydration structure of Z-DNA, a neutron diffraction study has been carried out at 1.8 angstrom resolution on a Z-DNA hexamer d(CGCGCG). Neutron diffraction data were collected with the BIX-3 single-crystal diffractometer at the JRR-3 reactor in the Japan Atomic Energy Research Institute (JAERI) using a large crystal (1.6 mm(3)) obtained from D2O solution. It has been found that almost all the guanine bases have participated in H/D exchange at the C8 - H8 group, consistent with the acidic nature of this bond. 44 water molecules were found in the nuclear density maps, of which 29 showed the entire contour of all three atoms ( D - O - D). The remaining 15 water molecules had a simple spherical shape, indicating that they were rotationally disordered. An interesting relationship was found between the orientational disorder of the water molecules and their locations. Almost all water molecules in the minor groove were well ordered in the crystal, while 40% of the water molecules in the major groove were rotationally disordered. The hydrogen-bonding networks in the hydration shells have two structural aspects: flexibility and regularity.
机译：为了揭示的水化结构中子衍射研究Z-DNA在Z-DNA 1.8埃分辨率六聚物d (CGCGCG)。收集BIX-3单晶衍射仪在日本JRR-3反应堆原子能研究所(JAERI)使用大水晶(1.6毫米(3))从D2O获得解决方案。鸟嘌呤基地参与了H / D交换在C8 - H8集团与酸性一致这个键的性质。核密度图中发现,其中29显示整个轮廓的所有三个原子(D- O - D),其余15个水分子简单的球形,表明他们旋转无序。方向之间的关系被发现障碍的水分子和他们的的位置。小沟很有序的晶体,而40%的水分子槽旋转无序。在水化壳氢键网络有两个结构方面:灵活性和规律性。

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