Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals

被引:21
作者
Wolff, Alexander M. [1 ,2 ]
Young, Iris D. [2 ,3 ]
Sierra, Raymond G. [4 ]
Brewster, Aaron S. [3 ]
Martynowycz, Michael W. [5 ,6 ]
Nango, Eriko [7 ,8 ]
Sugahara, Michihiro [7 ]
Nakane, Takanori [9 ,24 ]
Ito, Kazutaka [2 ,10 ]
Aquila, Andrew [4 ]
Bhowmick, Asmit [3 ]
Biel, Justin T. [1 ,2 ]
Carbajo, Sergio [4 ]
Cohen, Aina E. [11 ]
Cortez, Saul [12 ]
Gonzalez, Ana [11 ]
Hino, Tomoya [13 ,14 ]
Im, Dohyun [8 ]
Koralek, Jake D. [4 ]
Kubo, Minoru [7 ,15 ]
Lazarou, Tomas S. [16 ]
Nomura, Takashi [7 ]
Owada, Shigeki [7 ,17 ]
Samelson, Avi J. [18 ]
Tanaka, Tomoyuki [7 ,8 ]
Tanaka, Rie [7 ,8 ]
Thompson, Erin M. [2 ,19 ]
van den Bedem, Henry [20 ]
Woldeyes, Rahel A. [2 ,19 ]
Yumoto, Fumiaki [21 ]
Zhao, Wei [22 ]
Tono, Kensuke [7 ,17 ]
Boutet, Sebastien [4 ]
Iwata, So [7 ,8 ]
Gonen, Tamir [5 ,6 ,23 ]
Sauter, Nicholas K. [3 ]
Fraser, James S. [2 ]
Thompson, Michael C. [2 ]
机构
[1] Univ Calif San Francisco, Grad Program Biophys, San Francisco, CA 94143 USA
[2] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA
[3] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA USA
[4] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA
[5] Univ Calif Los Angeles, Howard Hughes Med Inst, Los Angeles, CA 90024 USA
[6] Univ Calif Los Angeles, Dept Biol Chem, Los Angeles, CA 90024 USA
[7] RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan
[8] Kyoto Univ, Grad Sch Med, Dept Cell Biol, Sakyo Ku, Yoshidakonoe Cho, Kyoto 6068501, Japan
[9] Univ Tokyo, Grad Sch Sci, Dept Biol Sci, Tokyo, Japan
[10] Asahi Kasei Pharma Corp, Pharmaceut Res Ctr, Lab Drug Discovery, 632-1 Mifuku, Izunokuni, Shizuoka 4102321, Japan
[11] SLAC Natl Accelerator Lab, SSRL, Menlo Pk, CA USA
[12] San Francisco State Univ, Dept Biol, San Francisco, CA 94132 USA
[13] Tottori Univ, Grad Sch Engn, Dept Chem & Biotechnol, Minami Ku, 4-101 Koyama Cho, Tottori 6808552, Japan
[14] Tottori Univ, Ctr Res Green Sustainable Chem, Tottori, Japan
[15] Univ Hyogo, Grad Sch Life Sci, Kamigori, Hyogo 6781297, Japan
[16] NYU, Dept Chem, New York, NY USA
[17] Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan
[18] Univ Calif San Francisco, Inst Neurodegenerat Dis, San Francisco, CA 94143 USA
[19] Univ Calif San Francisco, Grad Program Chem & Chem Biol, San Francisco, CA 94143 USA
[20] SLAC Natl Accelerator Lab, Biosci Dept, Menlo Pk, CA USA
[21] KEK, High Energy Accelerator Res Org, Inst Mat Struct Sci, Struct Biol Res Ctr, Tsukuba, Ibaraki 3050034, Japan
[22] CALTECH, Dept Biol & Biol Engn, Pasadena, CA 91125 USA
[23] Univ Calif Los Angeles, Dept Physiol, Los Angeles, CA 90024 USA
[24] MRC Lab Mol Biol, Cambridge, England
来源
IUCRJ | 2020年 / 7卷
关键词
microcrystals; batch crystallization; serial crystallography; MicroED; FEMTOSECOND CRYSTALLOGRAPHY; DATA-COLLECTION; REFINEMENT; REDUCTION;
D O I
10.1107/S205225252000072X
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Innovative new crystallographic methods are facilitating structural studies from ever smaller crystals of biological macromolecules. In particular, serial X-ray crystallography and microcrystal electron diffraction (MicroED) have emerged as useful methods for obtaining structural information from crystals on the nanometre to micrometre scale. Despite the utility of these methods, their implementation can often be difficult, as they present many challenges that are not encountered in traditional macromolecular crystallography experiments. Here, XFEL serial crystallography experiments and MicroED experiments using batch-grown microcrystals of the enzyme cyclophilin A are described. The results provide a roadmap for researchers hoping to design macromolecular microcrystallography experiments, and they highlight the strengths and weaknesses of the two methods. Specifically, we focus on how the different physical conditions imposed by the sample-preparation and delivery methods required for each type of experiment affect the crystal structure of the enzyme.
引用
收藏
页码:306 / 323
页数:18
相关论文
共 66 条
[1]   Towards automated crystallographic structure refinement with phenix.refine [J].
Afonine, Pavel V. ;
Grosse-Kunstleve, Ralf W. ;
Echols, Nathaniel ;
Headd, Jeffrey J. ;
Moriarty, Nigel W. ;
Mustyakimov, Marat ;
Terwilliger, Thomas C. ;
Urzhumtsev, Alexandre ;
Zwart, Peter H. ;
Adams, Paul D. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2012, 68 :352-367
[2]   Growing Protein Crystals with Distinct Dimensions Using Automated Crystallization Coupled with In Situ Dynamic Light Scattering [J].
Baitan, Daniela ;
Schubert, Robin ;
Meyer, Arne ;
Dierks, Karsten ;
Perbandt, Markus ;
Betzel, Christian .
JOVE-JOURNAL OF VISUALIZED EXPERIMENTS, 2018, (138)
[3]   Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data [J].
Barty, Anton ;
Kirian, Richard A. ;
Maia, Filipe R. N. C. ;
Hantke, Max ;
Yoon, Chun Hong ;
White, Thomas A. ;
Chapman, Henry .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2014, 47 :1118-1131
[4]   High-density grids for efficient data collection from multiple crystals [J].
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. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2016, 72 :2-11
[5]   Improving signal strength in serial crystallography with DIALS geometry refinement [J].
Brewster, Aaron S. ;
Waterman, David G. ;
Parkhurst, James M. ;
Gildea, Richard J. ;
Young, Iris D. ;
O'Riordan, Lee J. ;
Yano, Junko ;
Winter, Graeme ;
Evans, Gwyndaf ;
Sauter, Nicholas K. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2018, 74 :877-894
[6]   Modelling dynamics in protein crystal structures by ensemble refinement [J].
Burnley, B. Tom ;
Afonine, Pavel V. ;
Adams, Paul D. ;
Gros, Piet .
ELIFE, 2012, 1
[7]   Diverse HIV viruses are targeted by a conformationally dynamic antiviral [J].
Caines, Matthew E. C. ;
Bichel, Katsiaryna ;
Price, Amanda J. ;
McEwan, William A. ;
Towers, Greg J. ;
Willett, Brian J. ;
Freund, Stefan M. V. ;
James, Leo C. .
NATURE STRUCTURAL & MOLECULAR BIOLOGY, 2012, 19 (04) :411-416
[8]   Femtosecond X-ray protein nanocrystallography [J].
Chapman, Henry N. ;
Fromme, Petra ;
Barty, Anton ;
White, Thomas A. ;
Kirian, Richard A. ;
Aquila, Andrew ;
Hunter, Mark S. ;
Schulz, Joachim ;
DePonte, Daniel P. ;
Weierstall, Uwe ;
Doak, R. Bruce ;
Maia, Filipe R. N. C. ;
Martin, Andrew V. ;
Schlichting, Ilme ;
Lomb, Lukas ;
Coppola, Nicola ;
Shoeman, Robert L. ;
Epp, Sascha W. ;
Hartmann, Robert ;
Rolles, Daniel ;
Rudenko, Artem ;
Foucar, Lutz ;
Kimmel, Nils ;
Weidenspointner, Georg ;
Holl, Peter ;
Liang, Mengning ;
Barthelmess, Miriam ;
Caleman, Carl ;
Boutet, Sebastien ;
Bogan, Michael J. ;
Krzywinski, Jacek ;
Bostedt, Christoph ;
Bajt, Sasa ;
Gumprecht, Lars ;
Rudek, Benedikt ;
Erk, Benjamin ;
Schmidt, Carlo ;
Hoemke, Andre ;
Reich, Christian ;
Pietschner, Daniel ;
Strueder, Lothar ;
Hauser, Guenter ;
Gorke, Hubert ;
Ullrich, Joachim ;
Herrmann, Sven ;
Schaller, Gerhard ;
Schopper, Florian ;
Soltau, Heike ;
Kuehnel, Kai-Uwe ;
Messerschmidt, Marc .
NATURE, 2011, 470 (7332) :73-U81
[9]   Estimates of internal stress and related mosaicity in solution grown crystals: proteins [J].
Chernov, AA .
JOURNAL OF CRYSTAL GROWTH, 1999, 196 (2-4) :524-534
[10]   Electron diffraction and three-dimensional crystallography for structural biology [J].
Clabbers, Max T. B. ;
Abrahams, Jan Pieter .
CRYSTALLOGRAPHY REVIEWS, 2018, 24 (03) :176-204