High-density grids for efficient data collection from multiple crystals

Elizabeth L. Baxter, Laura Aguila, Roberto Alonso-Mori, Christopher O. Barnes, Christopher A. Bonagura, Winnie Brehmer, Axel T. Brunger, Guillermo Calero, Tom T. Caradoc-Davies, Ruchira Chatterjee, William F. Degrado, James S. Fraser, Mohamed Ibrahim, Jan Kern, Brian K. Kobilka, Andrew C. Kruse, Karl M. Larsson, Heinrik T. Lemke, Artem Y. Lyubimov, Aashish Manglik & 13 others Scott E. McPhillips, Erik Norgren, Siew S. Pang, S. M. Soltis, Jinhu Song, Jessica Thomaston, Yingssu Tsai, William I. Weis, Rahel A. Woldeyes, Vittal Yachandra, Junko Yano, Athina Zouni, Aina E. Cohen

Research output: Contribution to journalArticleResearchpeer-review

Abstract

Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive femtosecond crystallography experiments at X-ray free-electron laser (XFEL) sources such as the Linac Coherent Light Source (LCLS). To address these needs, a highdensity sample grid useful as a scaffold for both crystal growth and diffraction data collection has been developed and utilized for efficient goniometer-based sample delivery at synchrotron and XFEL sources. A single grid contains 75 mounting ports and fits inside an SSRL cassette or uni-puck storage container. The use of grids with an SSRL cassette expands the cassette capacity up to 7200 samples. Grids may also be covered with a polymer film or sleeve for efficient room-temperature data collection from multiple samples. New automated routines have been incorporated into the Blu-Ice/DCSS experimental control system to support grids, including semi-automated grid alignment, fully automated positioning of grid ports, rastering and automated data collection. Specialized tools have been developed to support crystallization experiments on grids, including a universal adaptor, which allows grids to be filled by commercial liquid-handling robots, as well as incubation chambers, which support vapordiffusion and lipidic cubic phase crystallization experiments. Experiments in which crystals were loaded into grids or grown on grids using liquid-handling robots and incubation chambers are described. Crystals were screened at LCLSXPP and SSRL BL12-2 at room temperature and cryogenic temperatures.

Original languageEnglish
Pages (from-to)2-11
Number of pages10
JournalActa Crystallographica Section D: Structural Biology
VolumeD72
DOIs
Publication statusPublished - 2016

Keywords

  • Automation for sample-exchange robots
  • High-throughput crystallography
  • Sample delivery
  • Serial crystallography
  • XFELs

Cite this

Baxter, E. L., Aguila, L., Alonso-Mori, R., Barnes, C. O., Bonagura, C. A., Brehmer, W., ... Cohen, A. E. (2016). High-density grids for efficient data collection from multiple crystals. Acta Crystallographica Section D: Structural Biology, D72, 2-11. https://doi.org/10.1107/S2059798315020847
Baxter, Elizabeth L. ; Aguila, Laura ; Alonso-Mori, Roberto ; Barnes, Christopher O. ; Bonagura, Christopher A. ; Brehmer, Winnie ; Brunger, Axel T. ; Calero, Guillermo ; Caradoc-Davies, Tom T. ; Chatterjee, Ruchira ; Degrado, William F. ; Fraser, James S. ; Ibrahim, Mohamed ; Kern, Jan ; Kobilka, Brian K. ; Kruse, Andrew C. ; Larsson, Karl M. ; Lemke, Heinrik T. ; Lyubimov, Artem Y. ; Manglik, Aashish ; McPhillips, Scott E. ; Norgren, Erik ; Pang, Siew S. ; Soltis, S. M. ; Song, Jinhu ; Thomaston, Jessica ; Tsai, Yingssu ; Weis, William I. ; Woldeyes, Rahel A. ; Yachandra, Vittal ; Yano, Junko ; Zouni, Athina ; Cohen, Aina E. / High-density grids for efficient data collection from multiple crystals. In: Acta Crystallographica Section D: Structural Biology. 2016 ; Vol. D72. pp. 2-11.
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abstract = "Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive femtosecond crystallography experiments at X-ray free-electron laser (XFEL) sources such as the Linac Coherent Light Source (LCLS). To address these needs, a highdensity sample grid useful as a scaffold for both crystal growth and diffraction data collection has been developed and utilized for efficient goniometer-based sample delivery at synchrotron and XFEL sources. A single grid contains 75 mounting ports and fits inside an SSRL cassette or uni-puck storage container. The use of grids with an SSRL cassette expands the cassette capacity up to 7200 samples. Grids may also be covered with a polymer film or sleeve for efficient room-temperature data collection from multiple samples. New automated routines have been incorporated into the Blu-Ice/DCSS experimental control system to support grids, including semi-automated grid alignment, fully automated positioning of grid ports, rastering and automated data collection. Specialized tools have been developed to support crystallization experiments on grids, including a universal adaptor, which allows grids to be filled by commercial liquid-handling robots, as well as incubation chambers, which support vapordiffusion and lipidic cubic phase crystallization experiments. Experiments in which crystals were loaded into grids or grown on grids using liquid-handling robots and incubation chambers are described. Crystals were screened at LCLSXPP and SSRL BL12-2 at room temperature and cryogenic temperatures.",
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author = "Baxter, {Elizabeth L.} and Laura Aguila and Roberto Alonso-Mori and Barnes, {Christopher O.} and Bonagura, {Christopher A.} and Winnie Brehmer and Brunger, {Axel T.} and Guillermo Calero and Caradoc-Davies, {Tom T.} and Ruchira Chatterjee and Degrado, {William F.} and Fraser, {James S.} and Mohamed Ibrahim and Jan Kern and Kobilka, {Brian K.} and Kruse, {Andrew C.} and Larsson, {Karl M.} and Lemke, {Heinrik T.} and Lyubimov, {Artem Y.} and Aashish Manglik and McPhillips, {Scott E.} and Erik Norgren and Pang, {Siew S.} and Soltis, {S. M.} and Jinhu Song and Jessica Thomaston and Yingssu Tsai and Weis, {William I.} and Woldeyes, {Rahel A.} and Vittal Yachandra and Junko Yano and Athina Zouni and Cohen, {Aina E.}",
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Baxter, EL, Aguila, L, Alonso-Mori, R, Barnes, CO, Bonagura, CA, Brehmer, W, Brunger, AT, Calero, G, Caradoc-Davies, TT, Chatterjee, R, Degrado, WF, Fraser, JS, Ibrahim, M, Kern, J, Kobilka, BK, Kruse, AC, Larsson, KM, Lemke, HT, Lyubimov, AY, Manglik, A, McPhillips, SE, Norgren, E, Pang, SS, Soltis, SM, Song, J, Thomaston, J, Tsai, Y, Weis, WI, Woldeyes, RA, Yachandra, V, Yano, J, Zouni, A & Cohen, AE 2016, 'High-density grids for efficient data collection from multiple crystals' Acta Crystallographica Section D: Structural Biology, vol. D72, pp. 2-11. https://doi.org/10.1107/S2059798315020847

High-density grids for efficient data collection from multiple crystals. / Baxter, Elizabeth L.; Aguila, Laura; Alonso-Mori, Roberto; Barnes, Christopher O.; Bonagura, Christopher A.; Brehmer, Winnie; Brunger, Axel T.; Calero, Guillermo; Caradoc-Davies, Tom T.; Chatterjee, Ruchira; Degrado, William F.; Fraser, James S.; Ibrahim, Mohamed; Kern, Jan; Kobilka, Brian K.; Kruse, Andrew C.; Larsson, Karl M.; Lemke, Heinrik T.; Lyubimov, Artem Y.; Manglik, Aashish; McPhillips, Scott E.; Norgren, Erik; Pang, Siew S.; Soltis, S. M.; Song, Jinhu; Thomaston, Jessica; Tsai, Yingssu; Weis, William I.; Woldeyes, Rahel A.; Yachandra, Vittal; Yano, Junko; Zouni, Athina; Cohen, Aina E.

In: Acta Crystallographica Section D: Structural Biology, Vol. D72, 2016, p. 2-11.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - High-density grids for efficient data collection from multiple crystals

AU - Baxter, Elizabeth L.

AU - Aguila, Laura

AU - Alonso-Mori, Roberto

AU - Barnes, Christopher O.

AU - Bonagura, Christopher A.

AU - Brehmer, Winnie

AU - Brunger, Axel T.

AU - Calero, Guillermo

AU - Caradoc-Davies, Tom T.

AU - Chatterjee, Ruchira

AU - Degrado, William F.

AU - Fraser, James S.

AU - Ibrahim, Mohamed

AU - Kern, Jan

AU - Kobilka, Brian K.

AU - Kruse, Andrew C.

AU - Larsson, Karl M.

AU - Lemke, Heinrik T.

AU - Lyubimov, Artem Y.

AU - Manglik, Aashish

AU - McPhillips, Scott E.

AU - Norgren, Erik

AU - Pang, Siew S.

AU - Soltis, S. M.

AU - Song, Jinhu

AU - Thomaston, Jessica

AU - Tsai, Yingssu

AU - Weis, William I.

AU - Woldeyes, Rahel A.

AU - Yachandra, Vittal

AU - Yano, Junko

AU - Zouni, Athina

AU - Cohen, Aina E.

PY - 2016

Y1 - 2016

N2 - Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive femtosecond crystallography experiments at X-ray free-electron laser (XFEL) sources such as the Linac Coherent Light Source (LCLS). To address these needs, a highdensity sample grid useful as a scaffold for both crystal growth and diffraction data collection has been developed and utilized for efficient goniometer-based sample delivery at synchrotron and XFEL sources. A single grid contains 75 mounting ports and fits inside an SSRL cassette or uni-puck storage container. The use of grids with an SSRL cassette expands the cassette capacity up to 7200 samples. Grids may also be covered with a polymer film or sleeve for efficient room-temperature data collection from multiple samples. New automated routines have been incorporated into the Blu-Ice/DCSS experimental control system to support grids, including semi-automated grid alignment, fully automated positioning of grid ports, rastering and automated data collection. Specialized tools have been developed to support crystallization experiments on grids, including a universal adaptor, which allows grids to be filled by commercial liquid-handling robots, as well as incubation chambers, which support vapordiffusion and lipidic cubic phase crystallization experiments. Experiments in which crystals were loaded into grids or grown on grids using liquid-handling robots and incubation chambers are described. Crystals were screened at LCLSXPP and SSRL BL12-2 at room temperature and cryogenic temperatures.

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KW - Automation for sample-exchange robots

KW - High-throughput crystallography

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KW - Serial crystallography

KW - XFELs

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