DATASW, a tool for HPLC-SAXS data analysis.
DATASW, a tool for HPLC-SAXS data analysis.
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DATASW，一种 HPLC-SAXS 数据分析工具。
DOI：
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发表时间：
2015
期刊：
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通讯作者：
S. Strelkov
中科院分区：
文献类型：
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作者：
A. Shkumatov;S. Strelkov
溶液中的小角X射线散射（SAXS）是一种常见的低分辨率方法，可以有效地补充晶体学或NMR获得的高分辨率信息。样品的单分散性是可靠的SAXS数据解释和模型建立的关键。具有在线高效液相色谱（HPLC）的光束线设置对于非均质样品的准确分析特别有用。DATASW程序使用用户指定大小的滑动窗口对HPLC-SAXS实验的单个数据帧进行平均，计算总体参数[I（0）、Rg、Dmax和分子量]，并预测样品的折叠状态（折叠/未折叠）。DATASW的应用说明了几种蛋白质与不同的光束线上记录的各种寡聚化行为。主要操作系统的DATASW二进制文件可以从http://datasw.sourceforge.net/下载。
Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement the high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS experiments using a sliding window of a user-specified size, calculates overall parameters [I(0), Rg, Dmax and molecular weight] and predicts the folding state (folded/unfolded) of the sample. Applications of DATASW are illustrated for several proteins with various oligomerization behaviours recorded on different beamlines. DATASW binaries for major operating systems can be downloaded from http://datasw.sourceforge.net/.