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Title: Bragg coherent diffraction imaging and metrics for radiation damage in protein micro-crystallography

Abstract

The proliferation of extremely intense synchrotron sources has enabled ever higher-resolution structures to be obtained using data collected from smaller and often more imperfect biological crystals. Synchrotron beamlines now exist that are capable of measuring data from single crystals that are just a few micrometres in size. This provides renewed motivation to study and understand the radiation damage behaviour of small protein crystals. Reciprocal-space mapping and Bragg coherent diffractive imaging experiments have been performed on cryo-cooled microcrystals of hen egg-white lysozyme as they undergo radiation damage. Several well established metrics, such as intensity-loss and lattice expansion, are applied to the diffraction data and the results are compared with several new metrics that can be extracted from the coherent imaging experiments. Individually some of these metrics are inconclusive. However, combining metrics, the results suggest that radiation damage behaviour in protein micro-crystals differs from that of larger protein crystals and may allow them to continue to diffract for longer. As a result, a possible mechanism to account for these observations is proposed.

Authors:
 [1];  [2];  [2];  [1]; ORCiD logo [2];  [3];  [4];  [5];  [6]; ORCiD logo [6];  [2]
  1. La Trobe Univ., Victoria (Australia); CSIRO Manufacturing Flagship, Parkville (Australia)
  2. La Trobe Univ., Victoria (Australia)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  5. Univ. of Oxford, Oxford (United Kingdom)
  6. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1348845
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Synchrotron Radiation (Online)
Additional Journal Information:
Journal Volume: 24; Journal Issue: 1; Journal ID: ISSN 1600-5775
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; radiation damage; dose; protein crystallography; micro-crystallography; Bragg coherent diffractive imaging

Citation Formats

Coughlan, H. D., Darmanin, C., Kirkwood, H. J., Phillips, N. W., Hoxley, D., Clark, J. N., Vine, D. J., Hofmann, F., Harder, R. J., Maxey, E., and Abbey, B. Bragg coherent diffraction imaging and metrics for radiation damage in protein micro-crystallography. United States: N. p., 2017. Web. doi:10.1107/s1600577516017525.
Coughlan, H. D., Darmanin, C., Kirkwood, H. J., Phillips, N. W., Hoxley, D., Clark, J. N., Vine, D. J., Hofmann, F., Harder, R. J., Maxey, E., & Abbey, B. Bragg coherent diffraction imaging and metrics for radiation damage in protein micro-crystallography. United States. https://doi.org/10.1107/s1600577516017525
Coughlan, H. D., Darmanin, C., Kirkwood, H. J., Phillips, N. W., Hoxley, D., Clark, J. N., Vine, D. J., Hofmann, F., Harder, R. J., Maxey, E., and Abbey, B. Sun . "Bragg coherent diffraction imaging and metrics for radiation damage in protein micro-crystallography". United States. https://doi.org/10.1107/s1600577516017525. https://www.osti.gov/servlets/purl/1348845.
@article{osti_1348845,
title = {Bragg coherent diffraction imaging and metrics for radiation damage in protein micro-crystallography},
author = {Coughlan, H. D. and Darmanin, C. and Kirkwood, H. J. and Phillips, N. W. and Hoxley, D. and Clark, J. N. and Vine, D. J. and Hofmann, F. and Harder, R. J. and Maxey, E. and Abbey, B.},
abstractNote = {The proliferation of extremely intense synchrotron sources has enabled ever higher-resolution structures to be obtained using data collected from smaller and often more imperfect biological crystals. Synchrotron beamlines now exist that are capable of measuring data from single crystals that are just a few micrometres in size. This provides renewed motivation to study and understand the radiation damage behaviour of small protein crystals. Reciprocal-space mapping and Bragg coherent diffractive imaging experiments have been performed on cryo-cooled microcrystals of hen egg-white lysozyme as they undergo radiation damage. Several well established metrics, such as intensity-loss and lattice expansion, are applied to the diffraction data and the results are compared with several new metrics that can be extracted from the coherent imaging experiments. Individually some of these metrics are inconclusive. However, combining metrics, the results suggest that radiation damage behaviour in protein micro-crystals differs from that of larger protein crystals and may allow them to continue to diffract for longer. As a result, a possible mechanism to account for these observations is proposed.},
doi = {10.1107/s1600577516017525},
url = {https://www.osti.gov/biblio/1348845}, journal = {Journal of Synchrotron Radiation (Online)},
issn = {1600-5775},
number = 1,
volume = 24,
place = {United States},
year = {2017},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: Example dataset collected from a single micrometre-sized HEWL protein crystal at 100 K; (a) 3D rendering of the reciprocal-space map as a function of dose and ( b) the corresponding $$\theta$$ rocking curves.

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    Works referencing / citing this record:

    Bragg coherent diffraction imaging and metrics for radiation damage in protein micro-crystallography
    text, January 2017


    Simulated sample heating from a nanofocused X-ray beam
    journal, August 2017


    Nanoscale imaging of the full strain tensor of specific dislocations extracted from a bulk sample
    journal, January 2020


    Lifetimes and spatio-temporal response of protein crystals in intense X-ray microbeams
    journal, October 2017


    Resolution and dose dependence of radiation damage in biomolecular systems
    journal, September 2019


      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.