乙二胺四乙酸钡的晶体结构

乙二胺四乙酸钡晶体属于空间群C_4v⁶,晶胞参数:α=19.76,c=8.96,晶胞中含有8个{Ba₂N₂C₁₀H₁₂O₈·2 1/2H₂O}。根据对帕特逊函数P(u, v),P(u, v, 1/2),P(v,w)的分析及电子密度函数ρ(x,y)和ρ(y,z)的验证,确定重原子放在两套一般等效位置上.但这两套重原子参数间存在着相当特殊的关系,它们组成了近似于四方底心的分布。在ρ(x,y)函数中扣去重原子贡献后,函数收敛性显著改善,在改进了ρ(x,y)图的基础上,根据有机分子键长键角的特征以及生成氢键的原则,引出了轻原子和结晶水的参数.最后,所引出参数亦得到ρ(y,z)图的验证.结构分析表明:有机分子对二套重原子中的一套实现了多啮的螯合.但此处的螯合作用与已知NiH₂Y·H₂O,NH₄CoY·2H₂O晶体中的情况颇不相同,在晶体中并不存在显著分立的螯合离子。     

PRELIMINARY CRYSTALLOGRAPHIC STUDIES ON THE COENZYME BINDING TO GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM Palinurus versicolor

The three forms of glyceraldehyde-3-phosphate dehydrogenase from Palinurus versicolor muscle, namelyapo native enzyme, apo calboxymethylated enzyme and the enzyme carrying two fluorescent NAD deriva-tives per tetramer have been crystallized. The space groups and unit cell dimensions of these crystals areisomorphous to each other and to those of three corresponding holo-enzymes saturated with NAD~+ reportedin a previous paper suggesting that binding of coenzyme to the apo enzymes does not lead to significantconformational changes involving domain movement as demonstrated in the case of glyceraldehyde-3-phos-phate dehydrogenase from Bacillus stearothermophilus.     

抗高血压新药DDPH的晶体结构

1－（2，6-二甲基苯氧基）－2－（3，4二甲氧苯乙胺基）丙烷盐酸盐（简称DDPH）是一种降血压新药。用X射线衍射法测定了两个晶体结构，（±）DDPH和（＋）DDPH单晶的空间群分别为P21/a和P212121。（±）DDPH分子呈弓形，整体近似一个平面结构；（＋）DDPH的2个苯环夹角较大，整个分子比较伸展。     

对氯苯甲酰哌啶晶体结构

对氯苯甲酸哌啶(C₁₂NOH₁₄Cl)的晶体属正交晶系,空间群为P2₁ 2₁ 2₁,晶胞参数为a=11.490(6)?,b=10.462(5)?,c=9.928(5)?,晶胞内分子数z=4。用PW-1100四圆衍射仪收集强度数据,Patterson法确定了氯原子的位置,Fourier综合获得了全部非氢原子位置,用全矩阵最小二乘法修正结构,最终的偏离因子R=0.094。差值Fourier综合确定了氢原子的位置。利用氯原子的反常散射效应确定了绝对构型。 关键词：     

中心对称情况下由重原子引起的八重解问题

对于低级晶系,由一套等效重原子的赝对称性引起的轻原子位置的多解数目最多为八重解形式,在测定TIP晶体结构时,出现了轻原子位置的八重解问题,本文详述了应用多解型分量关系式解决此类问题的方法与步骤。 关键词：     

pBPB共价修饰蝮蛇酸性磷脂酶A2的晶体学数据

The Crystals of acidic phospholipase A2 from the venom of Agkistrodon blomhoffii brevicaudus (i.e. Agkistrodon halys pallas) covalently modified with p-bromo-phenacylbromide were obtained by the method of hanging drop vapor diffusion. Crystallization droplet was composed of 0.06mol?L-1 Na(CH3)2AsO2 (pH=6.5), 24.8% (v/v) 1,4-butanediol, and 4.5mg?mL-1 protein. The crystal data are of a=b=82.82?., c=32.85?, space group P61. 8945 unique reflections with 1.93 ? resolution were measured on a Siemens area detector X-ray diffractometor, of which 8069 reflections having F0 >2σ(F). The experimental results show that the crystals are suitable to a structure analysis of high resolution.     

Palinurus versicolor龙虾肌肉D-甘油醛-3-磷酸脱氢酶与辅酶结合的初步晶体学研究

本文培养了三种Palinurus versicolor龙虾肌肉D-甘油醛-3-磷酸脱氢酶的晶体:脱辅基酶、脱辅基羧甲基酶和每四体含两个荧光NAD衍生物的酶晶体。用X射线衍射法测定了它们的空间群与晶胞参数。结果表明这些晶体以及对应的为NAD~+所饱和的holo酶晶体彼此同晶,良好的同晶性提示着,此种种属来源的甘油醛-3-磷酸脱氢酶与辅酶的结合不大可能导致如同Bacillus stearothermophillus酶那样涉及结构域相对运动的较大幅度的构象变化。