Analysis of XFEL serial diffraction data from individual crystalline fibrils.
Analysis of XFEL serial diffraction data from individual crystalline fibrils.
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DOI：
10.1107/s2052252517014324
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发表时间：
2017-11-01
期刊：
影响因子：
3.9
通讯作者：
Millane RP
中科院分区：
文献类型：
--
作者：
Wojtas DH;Ayyer K;Liang M;Mossou E;Romoli F;Seuring C;Beyerlein KR;Bean RJ;Morgan AJ;Oberthuer D;Fleckenstein H;Heymann M;Gati C;Yefanov O;Barthelmess M;Ornithopoulou E;Galli L;Xavier PL;Ling WL;Frank M;Yoon CH;White TA;Bajt S;Mitraki A;Boutet S;Aquila A;Barty A;Forsyth VT;Chapman HN;Millane RP
描述了用于处理来自单个结晶纤维的XFEL数据的方法。这些方法被应用于在直线加速器相干光源收集的来自腺病毒轴的淀粉样蛋白形成寡肽的数据。在直线加速器相干光源上从液体射流中输送的结晶淀粉样纤维收集的一系列衍射数据表明，纤维在射流中定向良好。在低纤维浓度时，从单个纤维记录的衍射图；这些图样很弱并且只包含少量反射。发展了确定图案在互易空间中的方向并在三维中合并它们的方法。这使得可以计算单独的结构幅度，从而克服了传统光纤衍射分析中取向和柱面平均的限制。这项技术的优势应该允许对生物学中的纤维系统进行结构研究，而这些研究是现有技术无法实现的。
Methods are described for processing XFEL data from individual crystalline fibrils. The methods are applied to data collected at the Linac Coherent Light Source from an amyloid-forming oligopeptide from the adenovirus shaft. Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. The advantages of this technique should allow structural studies of fibrous systems in biology that are inaccessible using existing techniques.