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Ab initio structure determination from experimental fluctuation X-ray scattering data

2018; National Academy of Sciences; Volume: 115; Issue: 46 Linguagem: Inglês

10.1073/pnas.1812064115

1091-6490

Kanupriya Pande, Jeffrey J. Donatelli, Erik Malmerberg, L. Foucar, Christoph Bostedt, Ilme Schlichting, Petrus H. Zwart,

Advanced X-ray Imaging Techniques

Significance Fluctuation X-ray scattering is a biophysical structural characterization technique that overcomes low data-to-parameter ratios encountered in traditional X-ray methods used for studying noncrystalline samples. By collecting a series of ultrashort X-ray exposures on an ensemble of particles at a free-electron laser, information-dense experimental data can be extracted that ultimately result in structures with a greater level of detail than can be obtained using traditional X-ray scattering methods. In this article we demonstrate the practical feasibility of this technique by introducing data-processing techniques and advanced noise-filtering methods that reduce the required data collection time to less than a few minutes. This will ultimately allow one to visualize details of structural dynamics that may be inaccessible through traditional methods.