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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. As a result, 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.

Authors:
 [1];  [2];  [2];  [3]; ORCiD logo [4];  [4]; ORCiD logo [5];  [1];  [6];  [7];  [2];  [8]; ORCiD logo [3]; ORCiD logo [1]; ORCiD logo [2];  [1];  [9];  [10];  [1];  [2] more »;  [9];  [11];  [12];  [9];  [13];  [1];  [14];  [1];  [13];  [1]; ORCiD logo [1];  [15];  [1]; ORCiD logo [11];  [4];  [11];  [1]; ORCiD logo [16];  [15];  [9];  [1];  [1];  [17];  [18];  [19] « less
  1. Uppsala Univ., Uppsala (Sweden)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg, Hamburg (Germany)
  4. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  5. La Trobe Univ., Melbourne (Australia)
  6. National Research Centre 'Kurchatov Institute', Moscow (Russia)
  7. SLAC National Accelerator Lab., Menlo Park, CA (United States); Argonne National Lab. (ANL),Lemont, IL (United States); Technische Univ. Berlin, Berlin (Germany)
  8. SLAC National Accelerator Lab., Menlo Park, CA (United States); California Lutheran Univ., Thousand Oaks, CA (United States)
  9. Arizona State Univ., Tempe, AZ (United States)
  10. Uppsala Univ., Uppsala (Sweden); Institute of Physics AS CR, Prague 8 (Czech Republic)
  11. Univ. of Wisconsin, Milwaukee, WI (United States)
  12. Univ. of Science and Technology, Pohang (Korea)
  13. European X-ray Free Electron Laser GmbH, Schenefeld (Germany)
  14. National Univ. of Singapore (Singapore)
  15. Pohang Univ. of Science and Technology, Pohang (Korea)
  16. Uppsala Univ., Uppsala (Sweden); AlbaNova Univ. Center, Stockholm (Sweden)
  17. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); National Research Nuclear Univ. MEPhI (Moscow Engineering Physics Institute), Moscow (Russia)
  18. Brookhaven National Lab. (BNL), Upton, NY (United States)
  19. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg, Hamburg (Germany); Max-Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1369312
Report Number(s):
SLAC-PUB-16952
Journal ID: ISSN 2052-4463; sdata201779
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Data
Additional Journal Information:
Journal Volume: 4; Journal ID: ISSN 2052-4463
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY

Citation Formats

Reddy, Hemanth K. N., Yoon, Chun Hong, Aquila, Andrew, Awel, Salah, Ayyer, Kartik, Barty, Anton, Berntsen, Peter, Bielecki, Johan, Bobkov, Sergey, Bucher, Maximilian, Carini, Gabriella A., Carron, Sebastian, Chapman, Henry, Daurer, Benedikt, DeMirci, Hasan, Ekeberg, Tomas, Fromme, Petra, Hajdu, Janos, Hanke, Max Felix, Hart, Philip, Hogue, Brenda G., Hosseinizadeh, Ahmad, Kim, Yoonhee, Kirian, Richard A., Kurta, Ruslan P., Larsson, Daniel S. D., Loh, N. Duane, Maia, Filipe R. N. C., Mancuso, Adrian P., Muhlig, Kerstin, Munke, Anna, Nam, Daewoong, Nettelblad, Carl, Ourmazd, Abbas, Rose, Max, Schwander, Peter, Seibert, Marvin, Sellberg, Jonas A., Song, Changyong, Spence, John C. H., Svenda, Martin, Van der Schot, Gijs, Vartanyants, Ivan A., Williams, Garth J., and Xavier, P. Lourdu. Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source. United States: N. p., 2017. Web. doi:10.1038/sdata.2017.79.
Reddy, Hemanth K. N., Yoon, Chun Hong, Aquila, Andrew, Awel, Salah, Ayyer, Kartik, Barty, Anton, Berntsen, Peter, Bielecki, Johan, Bobkov, Sergey, Bucher, Maximilian, Carini, Gabriella A., Carron, Sebastian, Chapman, Henry, Daurer, Benedikt, DeMirci, Hasan, Ekeberg, Tomas, Fromme, Petra, Hajdu, Janos, Hanke, Max Felix, Hart, Philip, Hogue, Brenda G., Hosseinizadeh, Ahmad, Kim, Yoonhee, Kirian, Richard A., Kurta, Ruslan P., Larsson, Daniel S. D., Loh, N. Duane, Maia, Filipe R. N. C., Mancuso, Adrian P., Muhlig, Kerstin, Munke, Anna, Nam, Daewoong, Nettelblad, Carl, Ourmazd, Abbas, Rose, Max, Schwander, Peter, Seibert, Marvin, Sellberg, Jonas A., Song, Changyong, Spence, John C. H., Svenda, Martin, Van der Schot, Gijs, Vartanyants, Ivan A., Williams, Garth J., & Xavier, P. Lourdu. Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source. United States. doi:10.1038/sdata.2017.79.
Reddy, Hemanth K. N., Yoon, Chun Hong, Aquila, Andrew, Awel, Salah, Ayyer, Kartik, Barty, Anton, Berntsen, Peter, Bielecki, Johan, Bobkov, Sergey, Bucher, Maximilian, Carini, Gabriella A., Carron, Sebastian, Chapman, Henry, Daurer, Benedikt, DeMirci, Hasan, Ekeberg, Tomas, Fromme, Petra, Hajdu, Janos, Hanke, Max Felix, Hart, Philip, Hogue, Brenda G., Hosseinizadeh, Ahmad, Kim, Yoonhee, Kirian, Richard A., Kurta, Ruslan P., Larsson, Daniel S. D., Loh, N. Duane, Maia, Filipe R. N. C., Mancuso, Adrian P., Muhlig, Kerstin, Munke, Anna, Nam, Daewoong, Nettelblad, Carl, Ourmazd, Abbas, Rose, Max, Schwander, Peter, Seibert, Marvin, Sellberg, Jonas A., Song, Changyong, Spence, John C. H., Svenda, Martin, Van der Schot, Gijs, Vartanyants, Ivan A., Williams, Garth J., and Xavier, P. Lourdu. Tue . "Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source". United States. doi:10.1038/sdata.2017.79. https://www.osti.gov/servlets/purl/1369312.
@article{osti_1369312,
title = {Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source},
author = {Reddy, Hemanth K. N. and Yoon, Chun Hong and Aquila, Andrew and Awel, Salah and Ayyer, Kartik and Barty, Anton and Berntsen, Peter and Bielecki, Johan and Bobkov, Sergey and Bucher, Maximilian and Carini, Gabriella A. and Carron, Sebastian and Chapman, Henry and Daurer, Benedikt and DeMirci, Hasan and Ekeberg, Tomas and Fromme, Petra and Hajdu, Janos and Hanke, Max Felix and Hart, Philip and Hogue, Brenda G. and Hosseinizadeh, Ahmad and Kim, Yoonhee and Kirian, Richard A. and Kurta, Ruslan P. and Larsson, Daniel S. D. and Loh, N. Duane and Maia, Filipe R. N. C. and Mancuso, Adrian P. and Muhlig, Kerstin and Munke, Anna and Nam, Daewoong and Nettelblad, Carl and Ourmazd, Abbas and Rose, Max and Schwander, Peter and Seibert, Marvin and Sellberg, Jonas A. and Song, Changyong and Spence, John C. H. and Svenda, Martin and Van der Schot, Gijs and Vartanyants, Ivan A. and Williams, Garth J. and Xavier, P. Lourdu},
abstractNote = {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. As a result, 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.},
doi = {10.1038/sdata.2017.79},
journal = {Scientific Data},
number = ,
volume = 4,
place = {United States},
year = {Tue Jun 27 00:00:00 EDT 2017},
month = {Tue Jun 27 00:00:00 EDT 2017}
}

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