A statistical approach to detect protein complexes at X-ray free electron laser facilities
Artikel i vetenskaplig tidskrift, 2018
The Flash X-ray Imaging (FXI) technique, under development at X-ray free electron lasers (XFEL), aims to achieve structure determination based on diffraction from individual macromolecular complexes. We report an FXI study on the first protein complex-RNA polymerase II-ever injected at an XFEL. A successful 3D reconstruction requires a high number of observations of the sample in various orientations. The measured diffraction signal for many shots can be comparable to background. Here we present a robust and highly sensitive hit-identification method based on automated modeling of beamline background through photon statistics. It can operate at controlled false positive hit-rate of 3 x10(-5). We demonstrate its power in determining particle hits and validate our findings against an independent hit-identification approach based on ion time-of-flight spectra. We also validate the advantages of our method over simpler hit-identification schemes via tests on other samples and using computer simulations, showing a doubled hit-identification power.
Författare
Alberto Pietrini
Uppsala universitet
Johan Bielecki
European XFEL
Uppsala universitet
Nicusor Timneanu
Uppsala universitet
Max F. Hantke
Uppsala universitet
University of Oxford
Jakob Andreasson
Uppsala universitet
Czech Academy of Sciences
Chalmers, Fysik, Kondenserade materiens fysik
N. Duane Loh
Universiti Kebangsaan Singapura (NUS)
Daniel S. D. Larsson
Uppsala universitet
Sebastien Boutet
Stanford University
Janos Hajdu
Czech Academy of Sciences
Uppsala universitet
Filipe R. N. C. Maia
Uppsala universitet
Carl Nettelblad
Uppsala universitet
Communications Physics
23993650 (eISSN)
Vol. 1 92Ämneskategorier
Acceleratorfysik och instrumentering
Atom- och molekylfysik och optik
Bioinformatik (beräkningsbiologi)
DOI
10.1038/s42005-018-0092-6