Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

Kurta, Ruslan P.; Donatelli, Jeffrey J.; Yoon, Chun Hong; Berntsen, Peter; Bielecki, Johan; Daurer, Benedikt J.; DeMirci, Hasan; Fromme, Petra; Hantke, Max Felix; Maia, Filipe R. N. C.; Munke, Anna; Nettelblad, Carl; Pande, Kanupriya; Reddy, Hemanth K. N.; Sellberg, Jonas A.; Sierra, Raymond G.; Svenda, Martin; van der Schot, Gijs; Vartanyants, Ivan A.; Williams, Garth J.; Xavier, P. Lourdu; Aquila, Andrew; Zwart, Peter H.; Mancuso, Adrian P.

doi:10.1103/PhysRevLett.119.158102

Title: Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

Abstract

We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates from the expected perfect icosahedral symmetry. Our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.

Authors:

Kurta, Ruslan P. ^[1]; Donatelli, Jeffrey J. ^[2]; Yoon, Chun Hong ^[3]; Berntsen, Peter ^[4]; Bielecki, Johan ^[5]; Daurer, Benedikt J. ^[6]; DeMirci, Hasan ^[3]; Fromme, Petra ^[7]; Hantke, Max Felix ^[6]; Maia, Filipe R. N. C. ^[8]; Munke, Anna ^[6]; Nettelblad, Carl ^[6]; Pande, Kanupriya ^[9]; Reddy, Hemanth K. N. ^[6]; Sellberg, Jonas A. ^[10]; Sierra, Raymond G. ^[3]; Svenda, Martin ^[6]; van der Schot, Gijs ^[6]; Vartanyants, Ivan A. ^[11]; Williams, Garth J. ^[12] more »

European XFEL GmbH, Schenefeld (Germany)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Center for Advanced Mathematics for Energy Research Applications, Berkeley, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
La Trobe Univ., Melbourne (Australia)
Uppsala Univ., Uppsala (Sweden); European XFEL GmbH, Schenefeld (Germany)
Uppsala Univ., Uppsala (Sweden)
Arizona State Univ., Tempe, AZ (United States)
Uppsala Univ., Uppsala (Sweden); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Center for Advanced Mathematics for Energy Research Applications, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
KTH Royal Institute of Technology, Stockholm (Sweden); Uppsala Univ., Uppsala (Sweden)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); National Research Nuclear Univ. MePhl (Moscow Engineering Physics Institute), Moscow (Russia)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Max-Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany)

Publication Date:: Thu Oct 12 00:00:00 EDT 2017

Research Org.:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1408102

Alternate Identifier(s):: OSTI ID: 1399167; OSTI ID: 1421825; OSTI ID: 1436269

Report Number(s):: BNL-203624-2018-JAAM
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US1702931

Grant/Contract Number:: AC02-05CH11231; ERC-2013-SyG 609920; NSF-1231306; R01GM095583; R01GM109019; SC0012704; AC02-76SF00515

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 119; Journal Issue: 15; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 60 APPLIED LIFE SCIENCES; 43 PARTICLE ACCELERATORS; 36 MATERIALS SCIENCE

Citation Formats


                    Kurta, Ruslan P., Donatelli, Jeffrey J., Yoon, Chun Hong, Berntsen, Peter, Bielecki, Johan, Daurer, Benedikt J., DeMirci, Hasan, Fromme, Petra, Hantke, Max Felix, Maia, Filipe R. N. C., Munke, Anna, Nettelblad, Carl, Pande, Kanupriya, Reddy, Hemanth K. N., Sellberg, Jonas A., Sierra, Raymond G., Svenda, Martin, van der Schot, Gijs, Vartanyants, Ivan A., Williams, Garth J., Xavier, P. Lourdu, Aquila, Andrew, Zwart, Peter H., and Mancuso, Adrian P. Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevLett.119.158102.

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                    Kurta, Ruslan P., Donatelli, Jeffrey J., Yoon, Chun Hong, Berntsen, Peter, Bielecki, Johan, Daurer, Benedikt J., DeMirci, Hasan, Fromme, Petra, Hantke, Max Felix, Maia, Filipe R. N. C., Munke, Anna, Nettelblad, Carl, Pande, Kanupriya, Reddy, Hemanth K. N., Sellberg, Jonas A., Sierra, Raymond G., Svenda, Martin, van der Schot, Gijs, Vartanyants, Ivan A., Williams, Garth J., Xavier, P. Lourdu, Aquila, Andrew, Zwart, Peter H., & Mancuso, Adrian P. Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses.  United States.  https://doi.org/10.1103/PhysRevLett.119.158102

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                    Kurta, Ruslan P., Donatelli, Jeffrey J., Yoon, Chun Hong, Berntsen, Peter, Bielecki, Johan, Daurer, Benedikt J., DeMirci, Hasan, Fromme, Petra, Hantke, Max Felix, Maia, Filipe R. N. C., Munke, Anna, Nettelblad, Carl, Pande, Kanupriya, Reddy, Hemanth K. N., Sellberg, Jonas A., Sierra, Raymond G., Svenda, Martin, van der Schot, Gijs, Vartanyants, Ivan A., Williams, Garth J., Xavier, P. Lourdu, Aquila, Andrew, Zwart, Peter H., and Mancuso, Adrian P. Thu .  
"Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses".  United States.  https://doi.org/10.1103/PhysRevLett.119.158102.  https://www.osti.gov/servlets/purl/1408102.

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@article{osti_1408102,

  title        = {Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses},

  author       = {Kurta, Ruslan P. and Donatelli, Jeffrey J. and Yoon, Chun Hong and Berntsen, Peter and Bielecki, Johan and Daurer, Benedikt J. and DeMirci, Hasan and Fromme, Petra and Hantke, Max Felix and Maia, Filipe R. N. C. and Munke, Anna and Nettelblad, Carl and Pande, Kanupriya and Reddy, Hemanth K. N. and Sellberg, Jonas A. and Sierra, Raymond G. and Svenda, Martin and van der Schot, Gijs and Vartanyants, Ivan A. and Williams, Garth J. and Xavier, P. Lourdu and Aquila, Andrew and Zwart, Peter H. and Mancuso, Adrian P.},

  abstractNote = {We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates from the expected perfect icosahedral symmetry. Our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.},

  doi          = {10.1103/PhysRevLett.119.158102},

  journal      = {Physical Review Letters},

  number       = 15,

  volume       = 119,

  place        = {United States},

  year         = {Thu Oct 12 00:00:00 EDT 2017},

  month        = {Thu Oct 12 00:00:00 EDT 2017}

}

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Figures / Tables:

FIG. 1: (a),(b) Experimental SAXS profiles $\langle{I}_{i}(q, φ)\rangle$_φ,i (log scale) determined for (a) RDVand (b) PR772 viruses. The insets in (a) and (b) display randomly chosen high-intensity singleparticle diffraction patterns for corresponding particles. (c)–(f) Amplitudes of the FCs $\tilde{C}$ⁿ(q₁, q₂) for $n$ = 1,…, 12 determined for (c),(e) RDVand (d,f)more »

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