ORTHORHOMBIC CRYSTAL-STRUCTURE OF THE A-DNA OCTAMER D(GTACGTAC) - COMPARISON WITH THE TETRAGONAL STRUCTURE
ORTHORHOMBIC CRYSTAL-STRUCTURE OF THE A-DNA OCTAMER D(GTACGTAC) - COMPARISON WITH THE TETRAGONAL STRUCTURE
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DOI：
10.1111/j.1432-1033.1993.tb17807.x
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发表时间：
1993-04-15
期刊：
影响因子：
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通讯作者：
PRECIGOUX, G
中科院分区：
文献类型：
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作者：
DESTAINTOT, BL;DAUTANT, A;PRECIGOUX, G
用分子置换法解析了双螺旋A-DNA八核苷酸d（GTACGTAC）的X射线晶体结构，并将其分辨率提高到0.219nm。对于1516个观察到的反射，最终的R因子等于16.1%，其中F > 4sigma（F）。该序列在正交空间群P2（1）2（1）2中结晶为A-DNA型双螺旋，其中一个双链分子在不对称单元中被66个水分子溶剂化。晶胞参数为a = 3.860 nm，B = 5.082 nm，c = 2.174 nm。这是第一次观察到这种晶体形式。这种斜方晶体结构已与相同寡核苷酸的四方晶体结构进行了比较。它采用弯曲的结构，在与水相关的分子之间具有不寻常的堆积。
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 > 4sigma(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.