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Molecular replacement study on form-B monoclinic crystal of insulin

机译:胰岛素B型单斜晶体的分子替代研究

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The foim-B monoclinic insulin crystal was obtained from the sodium citrate buffer with 1% zinc chloride, keeping phenolic content between 0.76% and 1.25% Its space group is P2_1, cell constants are: a=4.924nm, b=6.094nm, c=4818nm, beta=95.8°. There are 6 insulin molecules which form a hexamer. The initial phase was obtained by using rotation function program of X-PLOR program package and molecular packing program of our laboratory. The molecular model was chosen from 4 zinc bovine insulin hexamer. After the preliminary refinement by using the macromolecular rigid body refinement technique, the molecular model was further refined and adjusted by using the energy-minimizing stereochemically restrained least-squared refinement on the difference Fourier maps. The frnial R-factor is 22.4% at 0.3nm resolution, the r.m.s. deviations from standard bond length and bond angle are 0.0022nm and 4.7°, respectively.
机译:从具有1%氯化锌的柠檬酸钠缓冲液中获得foim-B单斜胰岛素晶体,酚含量保持在0.76%至1.25%之间。其空间群为P2_1,细胞常数为:a = 4.924nm,b = 6.094nm,c = 4818nm,β= 95.8°。有6个胰岛素分子形成六聚体。初始阶段是使用X-PLOR程序包的旋转功能程序和我们实验室的分子包装程序获得的。分子模型选自4种锌牛胰岛素六聚体。在使用大分子刚体细化技术进行初步细化之后,通过在差异傅立叶图上使用能量最小化立体化学约束的最小二乘细化,进一步细化和调整分子模型。在0.3nm分辨率下,r的R系数为22.4%,r.m.s。与标准键长和键角的偏差分别为0.0022nm和4.7°。

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