Anomalous signal from S atoms in protein crystallographic data from an X-ray free-electron laser

被引：45

作者：

Barends, Thomas R. M. ^{[1
,2
]}

Foucar, Lutz ^{[1
,2
]}

Shoeman, Robert L. ^{[1
,2
]}

Bari, Sadia ^{[2
,3
]}

Epp, Sascha W. ^{[2
,3
]}

Hartmann, Robert ^{[4
]}

Hauser, Gunter ^{[5
]}

Huth, Martin ^{[4
,5
]}

Kieser, Christian ^{[1
]}

Lomb, Lukas ^{[1
,2
]}

Motomura, Koji ^{[7
]}

Nagaya, Kiyonobu ^{[8
,9
]}

Schmidt, Carlo ^{[2
,3
]}

Strecker, Rafael ^{[5
,6
]}

Anielski, Denis ^{[2
,3
]}

Boll, Rebecca ^{[2
,3
]}

Erk, Benjamin ^{[2
,3
]}

Fukuzawa, Hironobu ^{[7
,9
]}

Hartmann, Elisabeth ^{[1
]}

Hatsui, Takaki ^{[9
]}

Holl, Peter ^{[4
]}

Inubushi, Yuichi ^{[9
]}

Ishikawa, Tetsuya ^{[9
]}

Kassemeyer, Stephan ^{[1
,2
]}

Kaiser, Christian ^{[3
]}

Koeck, Frank ^{[3
]}

Kunishima, Naoki ^{[9
]}

Kurka, Moritz ^{[3
]}

Rolles, Daniel ^{[1
,2
]}

Rudek, Benedikt ^{[2
,3
]}

Rudenko, Artem ^{[2
,3
,10
]}

Sato, Takahiro ^{[9
]}

Schroeter, Claus-Dieter ^{[3
]}

Soltau, Heike ^{[4
]}

Strueder, Lothar ^{[5
,11
]}

Tanaka, Tomoyuki ^{[9
]}

Togashi, Tadashi ^{[9
]}

Tono, Kensuke ^{[12
]}

Ullrich, Joachim ^{[2
,3
]}

Yase, Satoshi ^{[8
]}

Wada, Shin-ichi ^{[9
,13
]}

Yao, Makoto ^{[8
]}

Yabashi, Makina ^{[9
]}

Ueda, Kiyoshi ^{[7
,9
]}

Schlichting, Ilme ^{[1
,2
]}

机构：

[1] Max Planck Inst Med Res, D-69120 Heidelberg, Germany

[2] Ctr Free Electron Laser Sci CFEL, Max Planck Adv Study Grp, D-22607 Hamburg, Germany

[3] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany

[4] PNSensor GmbH, D-81739 Munich, Germany

[5] Max Planck Inst Halbleiterlab, D-81739 Munich, Germany

[6] Max Planck Inst Extraterr Phys, D-85741 Garching, Germany

[7] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan

[8] Kyoto Univ, Dept Phys, Kyoto 6068502, Japan

[9] RIKEN SPring 8 Ctr, Sayo, Hyogo 6795148, Japan

[10] Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA

[11] Univ Siegen, D-57068 Siegen, Germany

[12] Japan Synchrotron Radiat Res Inst JASRI, Sayo, Hyogo 6795198, Japan

[13] Hiroshima Univ, Dept Phys Sci, Higashihiroshima 7398526, Japan

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2013年 / 69卷

关键词：

RADIATION-DAMAGE; DIFFRACTION; CRYSTALS; INTEGRATION;

D O I：

10.1107/S0907444913002448

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

X-ray free-electron lasers (FELs) enable crystallographic data collection using extremely bright femtosecond pulses from microscopic crystals beyond the limitations of conventional radiation damage. This diffraction-before-destruction approach requires a new crystal for each FEL shot and, since the crystals cannot be rotated during the X-ray pulse, data collection requires averaging over many different crystals and a Monte Carlo integration of the diffraction intensities, making the accurate determination of structure factors challenging. To investigate whether sufficient accuracy can be attained for the measurement of anomalous signal, a large data set was collected from lysozyme microcrystals at the newly established 'multi-purpose spectroscopy/imaging instrument' of the SPring-8 Angstrom Compact Free-Electron Laser (SACLA) at RIKEN Harima. Anomalous difference density maps calculated from these data demonstrate that serial femtosecond crystallography using a free-electron laser is sufficiently accurate to measure even the very weak anomalous signal of naturally occurring S atoms in a protein at a photon energy of 7.3 keV.

引用

页码：838 / 842

页数：5

共 38 条

[1]

Amann J, 2012, NAT PHOTONICS, V6, P693, DOI [10.1038/nphoton.2012.180, 10.1038/NPHOTON.2012.180]

[2] Time-resolved protein nanocrystallography using an X-ray free-electron laser [J].

Aquila, Andrew ;

Hunter, Mark S. ;

Doak, R. Bruce ;

Kirian, Richard A. ;

Fromme, Petra ;

White, Thomas A. ;

Andreasson, Jakob ;

Arnlund, David ;

Bajt, Sasa ;

Barends, Thomas R. M. ;

Barthelmess, Miriam ;

Bogan, Michael J. ;

Bostedt, Christoph ;

Bottin, Herve ;

Bozek, John D. ;

Caleman, Carl ;

Coppola, Nicola ;

Davidsson, Jan ;

DePonte, Daniel P. ;

Elser, Veit ;

Epp, Sascha W. ;

Erk, Benjamin ;

Fleckenstein, Holger ;

Foucar, Lutz ;

Frank, Matthias ;

Fromme, Raimund ;

Graafsma, Heinz ;

Grotjohann, Ingo ;

Gumprecht, Lars ;

Hajdu, Janos ;

Hampton, Christina Y. ;

Hartmann, Andreas ;

Hartmann, Robert ;

Hauriege, Stefan ;

Hauser, Guenter ;

Hirsemann, Helmut ;

Holl, Peter ;

Holton, James M. ;

Hoemke, Andre ;

Johansson, Linda ;

Kimmel, Nils ;

Kassemeyer, Stephan ;

Krasniqi, Faton ;

Kuehnel, Kaiuwe ;

Liang, Mengning ;

Lomb, Lukas ;

Malmerberg, Erik ;

Marchesini, Stefano ;

Martin, Andrew V. ;

Maia, Filipe R. N. C. .

OPTICS EXPRESS, 2012, 20 (03) :2706-2716

[3]

Barty A, 2012, NAT PHOTONICS, V6, P35, DOI [10.1038/NPHOTON.2011.297, 10.1038/nphoton.2011.297]

[4] High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography [J].

Boutet, Sebastien ;

Lomb, Lukas ;

Williams, Garth J. ;

Barends, Thomas R. M. ;

Aquila, Andrew ;

Doak, R. Bruce ;

Weierstall, Uwe ;

DePonte, Daniel P. ;

Steinbrener, Jan ;

Shoeman, Robert L. ;

Messerschmidt, Marc ;

Barty, Anton ;

White, Thomas A. ;

Kassemeyer, Stephan ;

Kirian, Richard A. ;

Seibert, M. Marvin ;

Montanez, Paul A. ;

Kenney, Chris ;

Herbst, Ryan ;

Hart, Philip ;

Pines, Jack ;

Haller, Gunther ;

Gruner, Sol M. ;

Philipp, Hugh T. ;

Tate, Mark W. ;

Hromalik, Marianne ;

Koerner, Lucas J. ;

van Bakel, Niels ;

Morse, John ;

Ghonsalves, Wilfred ;

Arnlund, David ;

Bogan, Michael J. ;

Caleman, Carl ;

Fromme, Raimund ;

Hampton, Christina Y. ;

Hunter, Mark S. ;

Johansson, Linda C. ;

Katona, Gergely ;

Kupitz, Christopher ;

Liang, Mengning ;

Martin, Andrew V. ;

Nass, Karol ;

Redecke, Lars ;

Stellato, Francesco ;

Timneanu, Nicusor ;

Wang, Dingjie ;

Zatsepin, Nadia A. ;

Schafer, Donald ;

Defever, James ;

Neutze, Richard .

SCIENCE, 2012, 337 (6092) :362-364

[5] Simulations of radiation damage in biomolecular nanocrystals induced by femtosecond X-ray pulses [J].

Caleman, Carl ;

Bergh, Magnus ;

Scott, Howard A. ;

Spence, John C. H. ;

Chapman, Henry N. ;

Timneanu, Nicusor .

JOURNAL OF MODERN OPTICS, 2011, 58 (16) :1486-1497

[6] On the Feasibility of Nanocrystal Imaging Using Intense and Ultrashort X-ray Pulses [J].

Caleman, Carl ;

Huldt, Gosta ;

Maia, Filipe R. N. C. ;

Ortiz, Carlos ;

Parak, Fritz G. ;

Hajdu, Janos ;

van der Spoel, David ;

Chapman, Henry N. ;

Timneanu, Nicusor .

ACS NANO, 2011, 5 (01) :139-146

[7] 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

[8] Gas dynamic virtual nozzle for generation of microscopic droplet streams [J].

DePonte, D. P. ;

Weierstall, U. ;

Schmidt, K. ;

Warner, J. ;

Starodub, D. ;

Spence, J. C. H. ;

Doak, R. B. .

JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2008, 41 (19)

[9] INDEXING IN SINGLE-CRYSTAL DIFFRACTOMETRY WITH AN OBSTINATE LIST OF REFLECTIONS [J].

DUISENBERG, AJM .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1992, 25 :92-96

[10] CASS-CFEL-ASG software suite [J].

Foucar, Lutz ;

Barty, Anton ;

Coppola, Nicola ;

Hartmann, Robert ;

Holl, Peter ;

Hoppe, Uwe ;

Kassemeyer, Stephan ;

Kimmel, Nils ;

Kuepper, Jochen ;

Scholz, Mirko ;

Techert, Simone ;

White, Thomas A. ;

Strueder, Lothar ;

Ullrich, Joachim .

COMPUTER PHYSICS COMMUNICATIONS, 2012, 183 (10) :2207-2213

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