用单粒子衍射实验重构二十面体病毒
Reconstructing an Icosahedral Virus from Single-Particle Diffraction Experiments
摘要：
自由电子激光（FEL）单粒子散射实验的第一批实验数据现在已经可以获得。第一个这样的实验是在相对较大的物体上进行的，如病毒，在所谓的“衍射和破坏”实验中产生相对低分辨率，低噪音的衍射图案。我们描述了一个非常简单的测试测量衍射数据的角度相关性，以确定散射是从一个二十面体粒子。如果这一点得到证实，那么所提出的高效算法可以将来自随机未知方向的颗粒的多个镜头的衍射数据组合起来，以生成二十面体颗粒的完整3D图像。我们证明了这一点与卫星烟草坏死病毒（STNV），其不对称单位的原子坐标在蛋白质数据库条目2BUK的模拟。
英文摘要：
The first experimental data from single-particle scattering experiments from free electron lasers (FELs) are now becoming available. The first such experiments are being performed on relatively large objects such as viruses, which produce relatively low-resolution, low-noise diffraction patterns in so-called "diffract-and-destroy" experiments. We describe a very simple test on the angular correlations of measured diffraction data to determine if the scattering is from an icosahedral particle. If this is confirmed, the efficient algorithm proposed can then combine diffraction data from multiple shots of particles in random unknown orientations to generate a full 3D image of the icosahedral particle. We demonstrate this with a simulation for the satellite tobacco necrosis virus (STNV), the atomic coordinates of whose asymmetric unit is given in Protein Data Bank entry 2BUK.
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