Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

Hemanth K.N. Reddy; Chun Hong Yoon; Andrew Aquila; Salah Awel; Kartik Ayyer; Anton Barty; Peter Berntsen; Johan Bielecki; Sergey Bobkov; Maximilian Bucher; Gabriella A. Carini; Sebastian Carron; Henry Chapman; Benedikt Daurer; Hasan Demirci; Tomas Ekeberg; Petra Fromme; Janos Hajdu; Max Felix Hanke; Philip Hart; Brenda Hogue; Ahmad Hosseinizadeh; Yoonhee Kim; Richard Kirian; Ruslan P. Kurta; Daniel S.D. Larsson; N. Duane Loh; Filipe R.N.C. Maia; Adrian P. Mancuso; Kerstin Mühlig; Anna Munke; Daewoong Nam; Carl Nettelblad; Abbas Ourmazd; Max Rose; Peter Schwander; Marvin Seibert; Jonas A. Sellberg; Changyong Song; John Spence; Martin Svenda; Gijs Van Der Schot; Ivan A. Vartanyants; Garth J. Williams; P. Lourdu Xavier

doi:10.1038/sdata.2017.79

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

Hemanth K.N. Reddy, Chun Hong Yoon, Andrew Aquila, Salah Awel, Kartik Ayyer, Anton Barty, Peter Berntsen, Johan Bielecki, Sergey Bobkov, Maximilian Bucher, Gabriella A. Carini, Sebastian Carron, Henry Chapman, Benedikt Daurer, Hasan Demirci, Tomas Ekeberg, Petra Fromme, Janos Hajdu, Max Felix Hanke, Philip HartBrenda Hogue, Ahmad Hosseinizadeh, Yoonhee Kim, Richard Kirian, Ruslan P. Kurta, Daniel S.D. Larsson, N. Duane Loh, Filipe R.N.C. Maia, Adrian P. Mancuso, Kerstin Mühlig, Anna Munke, Daewoong Nam, Carl Nettelblad, Abbas Ourmazd, Max Rose, Peter Schwander, Marvin Seibert, Jonas A. Sellberg, Changyong Song, John Spence, Martin Svenda, Gijs Van Der Schot, Ivan A. Vartanyants, Garth J. Williams, P. Lourdu Xavier

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Abstract

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65-70 nm, which is considerably smaller than the previously reported ∼600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.

Original language	English (US)
Article number	170079
Journal	Scientific Data
Volume	4
DOIs	https://doi.org/10.1038/sdata.2017.79
State	Published - Jun 27 2017

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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Reddy, H. K. N., Yoon, C. H., Aquila, A., Awel, S., Ayyer, K., Barty, A., Berntsen, P., Bielecki, J., Bobkov, S., Bucher, M., Carini, G. A., Carron, S., Chapman, H., Daurer, B., Demirci, H., Ekeberg, T., Fromme, P., Hajdu, J., Hanke, M. F., ... Lourdu Xavier, P. (2017). Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source. Scientific Data, 4, Article 170079. https://doi.org/10.1038/sdata.2017.79

Reddy, HKN, Yoon, CH, Aquila, A, Awel, S, Ayyer, K, Barty, A, Berntsen, P, Bielecki, J, Bobkov, S, Bucher, M, Carini, GA, Carron, S, Chapman, H, Daurer, B, Demirci, H, Ekeberg, T, Fromme, P, Hajdu, J, Hanke, MF, Hart, P, Hogue, B, Hosseinizadeh, A, Kim, Y, Kirian, R, Kurta, RP, Larsson, DSD, Duane Loh, N, Maia, FRNC, Mancuso, AP, Mühlig, K, Munke, A, Nam, D, Nettelblad, C, Ourmazd, A, Rose, M, Schwander, P, Seibert, M, Sellberg, JA, Song, C, Spence, J, Svenda, M, Van Der Schot, G, Vartanyants, IA, Williams, GJ & Lourdu Xavier, P 2017, 'Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source', Scientific Data, vol. 4, 170079. https://doi.org/10.1038/sdata.2017.79

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title = "Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source",

abstract = "Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65-70 nm, which is considerably smaller than the previously reported ∼600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.",

author = "Reddy, {Hemanth K.N.} and Yoon, {Chun Hong} and Andrew Aquila and Salah Awel and Kartik Ayyer and Anton Barty and Peter Berntsen and Johan Bielecki and Sergey Bobkov and Maximilian Bucher and Carini, {Gabriella A.} and Sebastian Carron and Henry Chapman and Benedikt Daurer and Hasan Demirci and Tomas Ekeberg and Petra Fromme and Janos Hajdu and Hanke, {Max Felix} and Philip Hart and Brenda Hogue and Ahmad Hosseinizadeh and Yoonhee Kim and Richard Kirian and Kurta, {Ruslan P.} and Larsson, {Daniel S.D.} and {Duane Loh}, N. and Maia, {Filipe R.N.C.} and Mancuso, {Adrian P.} and Kerstin M{\"u}hlig and Anna Munke and Daewoong Nam and Carl Nettelblad and Abbas Ourmazd and Max Rose and Peter Schwander and Marvin Seibert and Sellberg, {Jonas A.} and Changyong Song and John Spence and Martin Svenda and {Van Der Schot}, Gijs and Vartanyants, {Ivan A.} and Williams, {Garth J.} and {Lourdu Xavier}, P.",

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doi = "10.1038/sdata.2017.79",

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AU - Reddy, Hemanth K.N.

AU - Yoon, Chun Hong

AU - Aquila, Andrew

AU - Awel, Salah

AU - Ayyer, Kartik

AU - Barty, Anton

AU - Berntsen, Peter

AU - Bielecki, Johan

AU - Bobkov, Sergey

AU - Bucher, Maximilian

AU - Carini, Gabriella A.

AU - Carron, Sebastian

AU - Chapman, Henry

AU - Daurer, Benedikt

AU - Demirci, Hasan

AU - Ekeberg, Tomas

AU - Fromme, Petra

AU - Hajdu, Janos

AU - Hanke, Max Felix

AU - Hart, Philip

AU - Hogue, Brenda

AU - Hosseinizadeh, Ahmad

AU - Kim, Yoonhee

AU - Kirian, Richard

AU - Kurta, Ruslan P.

AU - Larsson, Daniel S.D.

AU - Duane Loh, N.

AU - Maia, Filipe R.N.C.

AU - Mancuso, Adrian P.

AU - Mühlig, Kerstin

AU - Munke, Anna

AU - Nam, Daewoong

AU - Nettelblad, Carl

AU - Ourmazd, Abbas

AU - Rose, Max

AU - Schwander, Peter

AU - Seibert, Marvin

AU - Sellberg, Jonas A.

AU - Song, Changyong

AU - Spence, John

AU - Svenda, Martin

AU - Van Der Schot, Gijs

AU - Vartanyants, Ivan A.

AU - Williams, Garth J.

AU - Lourdu Xavier, P.

PY - 2017/6/27

Y1 - 2017/6/27

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AB - Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65-70 nm, which is considerably smaller than the previously reported ∼600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.

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Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

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