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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >The IMAGINE instrument: First neutron protein structure and new capabilities for neutron macromolecular crystallography
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The IMAGINE instrument: First neutron protein structure and new capabilities for neutron macromolecular crystallography

机译：想象一下仪器:首先中子蛋白质为中子结构和新功能大分子晶体学

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摘要

The first high-resolution neutron protein structure of perdeuterated rubredoxin from Pyrococcus furiosus (PfRd) determined using the new IMAGINE macromolecular neutron crystallography instrument at the Oak Ridge National Laboratory is reported. Neutron diffraction data extending to 1.6514;? resolution were collected from a relatively small 0.714;mm3 PfRd crystal using 2.514;d (6014;h) of beam time. The refined structure contains 371 out of 391, or 95%, of the D atoms of the protein and 58 solvent molecules. The IMAGINE instrument is designed to provide neutron data at or near atomic resolution (1.514;?) from crystals with volume 1.014;mm3 and with unit-cell edges 10014;?. Beamline features include novel elliptical focusing mirrors that deliver neutrons into a 2.0 × 3.214;mm focal spot at the sample position with full-width vertical and horizontal divergences of 0.5 and 0.6°, respectively. Variable short- and long-wavelength cutoff optics provide automated exchange between multiple-wavelength configurations (λmin = 2.0, 2.8, 3.314;? to λmax = 3.0, 4.0, 4.5, ～2014;?). These optics produce a more than 20-fold increase in the flux density at the sample and should help to enable more routine collection of high-resolution data from submillimetre-cubed crystals. Notably, the crystal used to collect these PfRd data was 5-10 times smaller than those previously reported.
机译：第一个高分辨率中子蛋白质结构perdeuterated红素氧还蛋白海床furiosus (PfRd)决定使用新的想象大分子中子晶体学乐器橡树岭国家实验室报告。衍射数据扩展到1.6514;?收集从一个相对较小的0.714;mm3吗PfRd水晶使用2.514;d (6014; h)光束的时间。精致的结构包含371 391,或95%的蛋白质和58的D原子溶剂分子。提供中子数据达到或接近原子分辨率(1.514; ?)从晶体体积& 1.014; mm3和单胞边缘& 10014; ?。功能包括小说椭圆聚焦镜子提供中子到2.0×3.214; mm焦斑位置的示例宽屏垂直和水平的差异分别为0.5和0.6°。长波截止光学提供自动化多波长之间的交换配置(最小值λ= 2.0,2.8,3.314;?= 3.0, 4.0, 4.5 ~ 2014;吗?)超过20倍的通量密度的增加样品,应有助于使更多的常规高分辨率的数据的集合submillimetre-cubed晶体。水晶用于收集这些PfRd数据是5 - 10乘以小于此前报道。

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