ブックタイトル日本結晶学会誌Vol60No5-6

概要

日本結晶学会誌Vol60No5-6

Armin WAGNER，Ramona DUMAN，Kamel el OMARI，Vinay GRAMA，Vitaliy MYKHAYLYKHThe next generation cryogenic vacuum transfer system,including a new transfer shuttle and air-lock is currentlybeing built and will soon replace the existing Leica VCT100system. While the original system was designed to transfergrids for cryo-electron microscopy, the new system will beoptimised to transfer crystals on pins.While the beamline can access wavelengths up to 5.9 A,for native phasing based on the anomalous signal fromsulphur, a wavelength of 2.75 A has been found to be a goodcompromise between the increase of the anomalous signaltowards the sulphur edge and the increased sample absorptioneffects, compromising the data quality at longer wavelengths.So far, only standard empirical absorption correctionshave been applied, as implemented in XDS/XSCALE orAimless. To apply analytical absorption corrections basedon the knowledge of the individual path lengths throughdiffracting and non-diffracting material for every reflection,the shape and volume of the sample need to be known.X-ray tomography can provide this information. Hence, anX-ray tomography camera has been incorporated into theI23 vacuum end station. After the diffraction experiment,an additional tomography experiment can be performed,followed by reconstruction and segmentation. As bothexperiments are performed with the same goniometer, theorientation of the crystal will be preserved. 35,36）A secondapproach towards longer wavelengths is to use laser shapingto remove excess non-diffracting material and to cut crystalsinto known shapes, ideally spheres. 37）This technologywill make absorption corrections trivial and open newopportunities for macromolecular crystallography, such asnative phasing from increasingly difficult projects at lowerresolution close to the sulphur and phosphorus edges andpotentially allow measurement of anomalous signals fromboth sodium and magnesium.AcknowledgementsWe would like to thank the I23 technical team, inparticular Dave Butler, Juan Castano Bromberg, Anthonyde Courcy, Paul Hathaway, Jack Li, James O’Hea, ArvinderPalaha, Adam Prescott, Adam Taylor, Ben Walby and KevinWilkinson for their continued support. Pre-screening onbeamline I03 was established in collaboration with MarkWilliams and Katherine McAuley.References1）J. M. Grimes, D. R. Hall, A. W. Ashton, G. Evans, R. L. Owen, A.Wagner, K. E. McAuley, F. von Delft, A. M. Orville, T. Sorensen,M. A. Walsh, H. M. Ginn and D. I. Stuart: Acta Cryst. D 74, 152（2018）．2）K. B. Handing, E. Niedzialkowska, I. G. Shabalin, M. L. Kuhn, H.P. Zheng and W. Minor: Nature Protocols 13, 1062（2018）．3）W. A. Hendrickson, J. R. Horton and D. M. LeMaster: EMBO J 9,1665（1990）．4）W. A. Hendrickson and M. M. Teeter: Nature 290, 107（1981）．5）Z. -J. Liu, E. S. Vysotski, E. S. Vysotski, C. -J. Chen, J. P. Rose, J.Lee and B. -C. Wang: Protein Science 9, 2085（2000）．6）Q. Liu, T. Dahmane, Z. Zhang, Z. Assur, J. Brasch, L. Shapiro, F.Mancia and W. A. Hendrickson: Science 336, 1033（2012）．7）K. El Omari, O. Iourin, J. Kadlec, R. Fearn, D. R. Hall, K. Harlos, J.M. Grimes and D. I. Stuart: Acta Cryst. D 70, 2197（2014）．8）T. Weinert, V. Olieric, S. Waltersperger, E. Panepucci, L. Chen,H. Zhang, D. Zhou, J. Rose, A. Ebihara, S. Kuramitsu, D. Li, N.Howe, G. Schnapp, A. Pautsch, K. Bargsten, A. E. Prota, P. Surana,J. Kottur, D. T. Nair, F. Basilico, V. Cecatiello, S. Pasqualato, A.Boland, O. Weichenrieder, B. -C. Wang, M. O. Steinmetz, M.Caffrey and M. Wang: Nature Methods 12, 131（2015）．9）S. Stuhrmann, M. Hutsch, C. Trame, J. Thomas and H. B.Stuhrmann: J. Synchrotron Radiat. 2, 83（1995）．10）D. Liebschner, Y. Yamada, N. Matsugaki, M. Senda and T. Senda:Acta Cryst. D 72, 728（2016）．11）A. Wagner, R. Duman, K. Henderson and V. Mykhaylyk: ActaCryst. D 72, 430（2016）．12）V. B. Mykhaylyk, M. Burt, C. Ursachi and A. Wagner: Rev. Sci.Instrum. 83, 034902（2012）．13）V. B. Mykhaylyk, A. Wagner and H. Kraus: J. Synchrotron Radiat.24, 636（2017）．14）J. D. O'Hea, M. H. Burt, S. Fisher, K. M. J. Jones, K. E. McAuley,G. Preece and M. A. Williams: ICALEPCS2017, Barcelona, Spain,JACoW, pp.1919-1922（2018）．15）C. Broennimann, E. F. Eikenberry, B. Henrich, R. Horisberger, G.Huelsen, E. Pohl, B. Schmitt, C. Schulze-Briese, M. Suzuki, T.Tomizaki, H. Toyokawa and A. Wagner: J. Synchrotron Radiat. 13,120（2006）．16）J. Marchal, B. Luethi, C. Ursachi, V. Mykhaylyk and A. Wagner:JINST 6, C11033（2011）．17）J. Wernecke, C. Gollwitzer, P. Muller and M. Krumrey: J.Synchrotron Radiat. 21, 529（2014）．18）S. Brockhauser, R. B. G. Ravelli and A. A. McCarthy: Acta Cryst. D69, 1241（2013）．19）E. P. Gibbons, M. T. Heron and N. P. Rees: GDA and EPICS:“working in unison for science driven data acquisition and controlat Diamond light source”, Contributions to the Proceedings ofICALEPCS 2011, France（2012）．20）G. Winter: J. Appl. Crystallogr. 43, 186（2010）．21）C. Vonrhein, C. Flensburg, P. Keller, A. Sharff, O. Smart, W.Paciorek, T. Womack and G. Bricogne: Acta Cryst. D 67, 293（2011）．22）G. Winter, D. G. Waterman, J. M. Parkhurst, A. S. Brewster, R. J.Gildea, M. Gerstel, L. Fuentes-Montero, M. Vollmar, T. Michels-Clark, I. D. Young, N. K. Sauter and G. Evans: Acta Cryst. D 74, 85（2018）．23）W. Kabsch: Acta Cryst. D 66, 125（2010）．24）M. D. Winn, C. C. Ballard, K. D. Cowtan, E. J. Dodson, P. Emsley,P. R. Evans, R. M. Keegan, E. B. Krissinel, A. G. Leslie, A. McCoy,S. J. McNicholas, G. N. Murshudov, N. S. Pannu, E. A. Potterton, H.R. Powell, R. J. Read, A. Vagin and K. S. Wilson: Acta Cryst. D 67,235（2011）．25）I. Sikharulidze, G. Winter and D. R. Hall: Acta Cryst. A 72, s193238日本結晶学会誌第60巻第5･6号（2018）