Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source

Haoyuan Li; Reza Nazari; Brian Abbey; Roberto Alvarez; Andrew Aquila; Kartik Ayyer; Anton Barty; Peter Berntsen; Johan Bielecki; Alberto Pietrini; Maximilian Bucher; Gabriella Carini; Henry N. Chapman; Alice Contreras; Benedikt J. Daurer; Hasan DeMirci; Leonie Flűckiger; Matthias Frank; Janos Hajdu; Max F. Hantke; Brenda G. Hogue; Ahmad Hosseinizadeh; Mark S. Hunter; H. Olof Jönsson; Richard A. Kirian; Ruslan P. Kurta; Duane Loh; Filipe R.N.C. Maia; Adrian P. Mancuso; Andrew J. Morgan; Matthew McFadden; Kerstin Muehlig; Anna Munke; Hemanth Kumar Narayana Reddy; Carl Nettelblad; Abbas Ourmazd; Max Rose; Peter Schwander; M. Marvin Seibert; Jonas A. Sellberg; Raymond G. Sierra; Zhibin Sun; Martin Svenda; Ivan A. Vartanyants; Peter Walter; Daniel Westphal; Garth Williams; P. Lourdu Xavier; Chun Hong Yoon; Sahba Zaare

doi:10.1038/s41597-020-00745-2

Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source

Haoyuan Li, Reza Nazari, Brian Abbey, Roberto Alvarez, Andrew Aquila, Kartik Ayyer, Anton Barty, Peter Berntsen, Johan Bielecki, Alberto Pietrini, Maximilian Bucher, Gabriella Carini, Henry N. Chapman, Alice Contreras, Benedikt J. Daurer, Hasan DeMirci, Leonie Flűckiger, Matthias Frank, Janos Hajdu, Max F. HantkeBrenda G. Hogue, Ahmad Hosseinizadeh, Mark S. Hunter, H. Olof Jönsson, Richard A. Kirian, Ruslan P. Kurta, Duane Loh, Filipe R.N.C. Maia, Adrian P. Mancuso, Andrew J. Morgan, Matthew McFadden, Kerstin Muehlig, Anna Munke, Hemanth Kumar Narayana Reddy, Carl Nettelblad, Abbas Ourmazd, Max Rose, Peter Schwander, M. Marvin Seibert, Jonas A. Sellberg, Raymond G. Sierra, Zhibin Sun, Martin Svenda, Ivan A. Vartanyants, Peter Walter, Daniel Westphal, Garth Williams, P. Lourdu Xavier, Chun Hong Yoon, Sahba Zaare

Research output: Contribution to journal › Article › peer-review

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Abstract

Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited. The diffraction data were collected at the Atomic, Molecular and Optical Science Instrument (AMO) of the LCLS in 4 experimental beam times during a period of four years. The photon energy was either 1.2 or 1.7 keV and the pulse energy was between 2 and 4 mJ in a focal spot of about 1.3 μm x 1.7 μm full width at half maximum (FWHM). The X-ray laser pulses captured the particles in random orientations. The data offer insight into aerosolised virus particles in the gas phase, contain information relevant to improving experimental parameters, and provide a basis for developing algorithms for image analysis and reconstruction.

Original language	English (US)
Article number	404
Journal	Scientific Data
Volume	7
Issue number	1
DOIs	https://doi.org/10.1038/s41597-020-00745-2
State	Published - Dec 2020

ASJC Scopus subject areas

Statistics and Probability
Information Systems
Education
Computer Science Applications
Statistics, Probability and Uncertainty
Library and Information Sciences

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10.1038/s41597-020-00745-2

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Li, H., Nazari, R., Abbey, B., Alvarez, R., Aquila, A., Ayyer, K., Barty, A., Berntsen, P., Bielecki, J., Pietrini, A., Bucher, M., Carini, G., Chapman, H. N., Contreras, A., Daurer, B. J., DeMirci, H., Flűckiger, L., Frank, M., Hajdu, J., ... Zaare, S. (2020). Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source. Scientific Data, 7(1), Article 404. https://doi.org/10.1038/s41597-020-00745-2

Li, H, Nazari, R, Abbey, B, Alvarez, R, Aquila, A, Ayyer, K, Barty, A, Berntsen, P, Bielecki, J, Pietrini, A, Bucher, M, Carini, G, Chapman, HN, Contreras, A, Daurer, BJ, DeMirci, H, Flűckiger, L, Frank, M, Hajdu, J, Hantke, MF, Hogue, BG, Hosseinizadeh, A, Hunter, MS, Jönsson, HO, Kirian, RA, Kurta, RP, Loh, D, Maia, FRNC, Mancuso, AP, Morgan, AJ, McFadden, M, Muehlig, K, Munke, A, Reddy, HKN, Nettelblad, C, Ourmazd, A, Rose, M, Schwander, P, Marvin Seibert, M, Sellberg, JA, Sierra, RG, Sun, Z, Svenda, M, Vartanyants, IA, Walter, P, Westphal, D, Williams, G, Xavier, PL, Yoon, CH & Zaare, S 2020, 'Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source', Scientific Data, vol. 7, no. 1, 404. https://doi.org/10.1038/s41597-020-00745-2

@article{dc031e942dcb4759acfe776ab96b740e,

title = "Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source",

abstract = "Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited. The diffraction data were collected at the Atomic, Molecular and Optical Science Instrument (AMO) of the LCLS in 4 experimental beam times during a period of four years. The photon energy was either 1.2 or 1.7 keV and the pulse energy was between 2 and 4 mJ in a focal spot of about 1.3 μm x 1.7 μm full width at half maximum (FWHM). The X-ray laser pulses captured the particles in random orientations. The data offer insight into aerosolised virus particles in the gas phase, contain information relevant to improving experimental parameters, and provide a basis for developing algorithms for image analysis and reconstruction.",

author = "Haoyuan Li and Reza Nazari and Brian Abbey and Roberto Alvarez and Andrew Aquila and Kartik Ayyer and Anton Barty and Peter Berntsen and Johan Bielecki and Alberto Pietrini and Maximilian Bucher and Gabriella Carini and Chapman, {Henry N.} and Alice Contreras and Daurer, {Benedikt J.} and Hasan DeMirci and Leonie Fl{\H u}ckiger and Matthias Frank and Janos Hajdu and Hantke, {Max F.} and Hogue, {Brenda G.} and Ahmad Hosseinizadeh and Hunter, {Mark S.} and J{\"o}nsson, {H. Olof} and Kirian, {Richard A.} and Kurta, {Ruslan P.} and Duane Loh and Maia, {Filipe R.N.C.} and Mancuso, {Adrian P.} and Morgan, {Andrew J.} and Matthew McFadden and Kerstin Muehlig and Anna Munke and Reddy, {Hemanth Kumar Narayana} and Carl Nettelblad and Abbas Ourmazd and Max Rose and Peter Schwander and {Marvin Seibert}, M. and Sellberg, {Jonas A.} and Sierra, {Raymond G.} and Zhibin Sun and Martin Svenda and Vartanyants, {Ivan A.} and Peter Walter and Daniel Westphal and Garth Williams and Xavier, {P. Lourdu} and Yoon, {Chun Hong} and Sahba Zaare",

note = "Funding Information: Use of the Linac Coherent Light Source, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The research conducted at UWM was supported by the US Department of Energy, Office of Science, Basic Energy Sciences under award DE-SC0002164 (algorithm design and development), and by the US National Science Foundation under awards STC 1231306 (numerical trial models and data analysis) and 1551489 (underlying analytical models). This work was supported by the Cluster of Excellence “CUI: Advanced Imaging of Matter” of the Deutsche Forschungsgemeinschaft (DFG) - EXC 2056 - project ID 390715994. The US National Science Foundation Award 1231306. The NSF Science and Technology Center grant NSF-1231306 (Biology with X-ray Lasers, BioXFEL). NIH grant 5R01GM117342. Helmholtz Associations Initiative and Networking Fund and Russian Science Foundation (Grant No. HRSF-0002/18-41-06001). This project has recieved funding from the European Union{\textquoteright}s Horizon 2020 research and innovation programme under the Marie Sk{\l}odowska-Curie grant agreement No 701647. The Swedish Research Council (to J.H.), The Knut and Alice Wallenberg Foundation (to J.H.), The European Research Council (to J.H.), and the project “Structural dynamics of biomolecular systems (ELIBIO)” (NO. CZ.02.1.01/0.0/0.0/15_003/0000447) from the European Regional Development Fund (to JH). The project “Structural dynamics of biomolecular systems (ELIBIO)” (NO. CZ.02.1.01/0.0/0.0/15_003/0000447) from the European Regional Development Fund. The European Research Council—Frontiers in Attosecond X-ray Science: Imaging and Spectroscopy (AXSIS). The Australian Research Council Centre of Excellence in Advanced Molecular Imaging (AMI). Publisher Copyright: {\textcopyright} 2020, This is a U.S. government work and not under copyright protection in the U.S.; foreign copyright protection may apply.",

year = "2020",

month = dec,

doi = "10.1038/s41597-020-00745-2",

language = "English (US)",

volume = "7",

journal = "Scientific Data",

issn = "2052-4463",

publisher = "Nature Publishing Group",

number = "1",

}

TY - JOUR

T1 - Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source

AU - Li, Haoyuan

AU - Nazari, Reza

AU - Abbey, Brian

AU - Alvarez, Roberto

AU - Aquila, Andrew

AU - Ayyer, Kartik

AU - Barty, Anton

AU - Berntsen, Peter

AU - Bielecki, Johan

AU - Pietrini, Alberto

AU - Bucher, Maximilian

AU - Carini, Gabriella

AU - Chapman, Henry N.

AU - Contreras, Alice

AU - Daurer, Benedikt J.

AU - DeMirci, Hasan

AU - Flűckiger, Leonie

AU - Frank, Matthias

AU - Hajdu, Janos

AU - Hantke, Max F.

AU - Hogue, Brenda G.

AU - Hosseinizadeh, Ahmad

AU - Hunter, Mark S.

AU - Jönsson, H. Olof

AU - Kirian, Richard A.

AU - Kurta, Ruslan P.

AU - Loh, Duane

AU - Maia, Filipe R.N.C.

AU - Mancuso, Adrian P.

AU - Morgan, Andrew J.

AU - McFadden, Matthew

AU - Muehlig, Kerstin

AU - Munke, Anna

AU - Reddy, Hemanth Kumar Narayana

AU - Nettelblad, Carl

AU - Ourmazd, Abbas

AU - Rose, Max

AU - Schwander, Peter

AU - Marvin Seibert, M.

AU - Sellberg, Jonas A.

AU - Sierra, Raymond G.

AU - Sun, Zhibin

AU - Svenda, Martin

AU - Vartanyants, Ivan A.

AU - Walter, Peter

AU - Westphal, Daniel

AU - Williams, Garth

AU - Xavier, P. Lourdu

AU - Yoon, Chun Hong

AU - Zaare, Sahba

N1 - Funding Information: Use of the Linac Coherent Light Source, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The research conducted at UWM was supported by the US Department of Energy, Office of Science, Basic Energy Sciences under award DE-SC0002164 (algorithm design and development), and by the US National Science Foundation under awards STC 1231306 (numerical trial models and data analysis) and 1551489 (underlying analytical models). This work was supported by the Cluster of Excellence “CUI: Advanced Imaging of Matter” of the Deutsche Forschungsgemeinschaft (DFG) - EXC 2056 - project ID 390715994. The US National Science Foundation Award 1231306. The NSF Science and Technology Center grant NSF-1231306 (Biology with X-ray Lasers, BioXFEL). NIH grant 5R01GM117342. Helmholtz Associations Initiative and Networking Fund and Russian Science Foundation (Grant No. HRSF-0002/18-41-06001). This project has recieved funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 701647. The Swedish Research Council (to J.H.), The Knut and Alice Wallenberg Foundation (to J.H.), The European Research Council (to J.H.), and the project “Structural dynamics of biomolecular systems (ELIBIO)” (NO. CZ.02.1.01/0.0/0.0/15_003/0000447) from the European Regional Development Fund (to JH). The project “Structural dynamics of biomolecular systems (ELIBIO)” (NO. CZ.02.1.01/0.0/0.0/15_003/0000447) from the European Regional Development Fund. The European Research Council—Frontiers in Attosecond X-ray Science: Imaging and Spectroscopy (AXSIS). The Australian Research Council Centre of Excellence in Advanced Molecular Imaging (AMI). Publisher Copyright: © 2020, This is a U.S. government work and not under copyright protection in the U.S.; foreign copyright protection may apply.

PY - 2020/12

Y1 - 2020/12

N2 - Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited. The diffraction data were collected at the Atomic, Molecular and Optical Science Instrument (AMO) of the LCLS in 4 experimental beam times during a period of four years. The photon energy was either 1.2 or 1.7 keV and the pulse energy was between 2 and 4 mJ in a focal spot of about 1.3 μm x 1.7 μm full width at half maximum (FWHM). The X-ray laser pulses captured the particles in random orientations. The data offer insight into aerosolised virus particles in the gas phase, contain information relevant to improving experimental parameters, and provide a basis for developing algorithms for image analysis and reconstruction.

AB - Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited. The diffraction data were collected at the Atomic, Molecular and Optical Science Instrument (AMO) of the LCLS in 4 experimental beam times during a period of four years. The photon energy was either 1.2 or 1.7 keV and the pulse energy was between 2 and 4 mJ in a focal spot of about 1.3 μm x 1.7 μm full width at half maximum (FWHM). The X-ray laser pulses captured the particles in random orientations. The data offer insight into aerosolised virus particles in the gas phase, contain information relevant to improving experimental parameters, and provide a basis for developing algorithms for image analysis and reconstruction.

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U2 - 10.1038/s41597-020-00745-2

DO - 10.1038/s41597-020-00745-2

M3 - Article

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AN - SCOPUS:85096341423

SN - 2052-4463

VL - 7

JO - Scientific Data

JF - Scientific Data

IS - 1

M1 - 404

ER -

Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source

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Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source

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