Snell Laboratory Publications
2016
- Bruno A, Soares A, Owen R, Snell EH. The use of haptic interfaces and web services in crystallography: an application for a `screen to beam’ interface. J. Appl. Cryst. (2016). 49, 2082-2090.
- Altan I, Charbonneau P, Snell EH. Computational crystallization. Arch Biochem Biophys. 2016 Jan 11. pii: S0003-9861(16)30004-2
- Luft JR, Wolfley JR, Franks EC, Lauricella AM, Gualtieri EJ, Snell EH, Xiao R, Everett JK, Montelione GT. The detection and subsequent volume optimization of biological nanocrystals, Struct Dyn. 2015 May 15;2(4):041710.
2015
- Monteiro DC, Patel V, Bartlett CP, Nozaki S, Grant TD, Gowdy JA, Thompson GS, Kalverda AP, Snell EH, Niki H, Pearson AR, Webb ME. The structure of the PanD/PanZ protein complex reveals negative feedback regulation of pantothenate biosynthesis by coenzyme A. Chem Biol. 2015 Apr 23;22(4):492-503
- Grant TD, Luft JR, Carter LG, Matsui T, Weiss TM, Martel A, Snell EH. The accurate assessment of small-angle X-ray scattering data. Acta Crystallogr D Biol Crystallogr. 2015 Jan 1;71(Pt 1):45-56.
- Rossi P, Shi L, Liu G, Barbieri CM, Lee HW, Grant TD, Luft JR, Xiao R, Acton TB, Snell EH, Montelione GT, Baker D, Lange OF, Sgourakis NG. A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta. Proteins. 2015 Feb;83(2):309-17.
2014
- Bruno AE, Ruby AM, Luft JR, Grant TD, Seetharaman J, Montelione GT, Hunt JF, Snell EH. Comparing chemistry to outcome: the development of a chemical distance metric, coupled with clustering and hierarchal visualization applied to macromolecular crystallography. PLoS One. 2014 Jun 27;9(6):e100782.
- Calero G, Cohen AE, Luft JR, Newman J, Snell EH. Identifying, studying and making good use of macromolecular crystals. Acta Crystallogr F Struct Biol Commun. 2014 Aug;70(Pt 8):993-1008.
- Luft JR, Newman J, Snell EH. Crystallization screening: the influence of history on current practice. Acta Crystallogr F Struct Biol Commun. 2014 Jul;70(Pt 7):835-53.
- Fusco D, Barnum TJ, Bruno AE, Luft JR, Snell EH, Mukherjee S, Charbonneau P. Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms. PLoS One. 2014 Jul 2;9(7):e101123.
- Munshi P, Snell EH, van der Woerd MJ, Judge RA, Myles DA, Ren Z, Meilleur F. Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant. Acta Crystallogr D Biol Crystallogr. 2014 Feb;70(Pt 2):414-20.
- Luft JR, Grant TD, Wolfley JR, Snell EH. A new view on crystal harvesting. J Appl Crystallogr. 2014 May 29;47(Pt 3):1158-1161.
- Acbas G, Niessen KA, Snell EH, Markelz AG. Optical measurements of long-range protein vibrations. Nat Commun. 2014;5:3076.
2013
- Grant TD, Luft JR, Wolfley JR, Snell ME, Tsuruta H, Corretore S, Quartley E, Phizicky EM, Grayhack EJ, Snell EH. The structure of yeast glutaminyl-tRNA synthetase and modeling of its interaction with tRNA. J Mol Biol. 2013 Jul 24;425(14):2480-93.
- Sutton KA, Black PJ, Mercer KR, Garman EF, Owen RL, Snell EH, Bernhard WA. Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies. Acta Crystallogr D Biol Crystallogr. 2013 Dec;69(Pt 12):2381-94.
- Stiegler AL, Grant TD, Luft JR, Calderwood DA, Snell EH, Boggon TJ. Purification and SAXS analysis of the integrin linked kinase, PINCH, parvin (IPP) heterotrimeric complex. PLoS One. 2013;8(1):e55591.
2012
- Newman J, Bolton EE, Müller-Dieckmann J, Fazio VJ, Gallagher DT, Lovell D, Luft JR, Peat TS, Ratcliffe D, Sayle RA, Snell EH, Taylor K, Vallotton P, Velanker S, von Delft F. On the need for an international effort to capture, share and use crystallization screening data. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Mar 1;68(Pt 3):253-8.
- Grant TD, Snell EH, Luft JR, Quartley E, Corretore S, Wolfley JR, Snell ME, Hadd A, Perona JJ, Phizicky EM, Grayhack EJ. Structural conservation of an ancient tRNA sensor in eukaryotic glutaminyl-tRNA synthetase. Nucleic Acids Res. 2012 Apr;40(8):3723-31.
2011
- Luft JR, Wolfley JR, Snell EH. What’s in a drop? Correlating observations and outcomes to guide macromolecular crystallization experiments. Cryst Growth Des. 2011 Mar 2;11(3):651-663.
- Luft JR, Snell EH, Detitta GT. Lessons from high-throughput protein crystallization screening: 10 years of practical experience. Expert Opin Drug Discov. 2011 May;6(5):465-80.
- Grant TD, Luft JR, Wolfley JR, Tsuruta H, Martel A, Montelione GT, Snell EH. Small angle X-ray scattering as a complementary tool for high-throughput structural studies. Biopolymers. 2011 Aug;95(8):517-30.
2010
- Luft JR, Furlani NM, Nemoyer RE, Penna EJ, Wolfley JR, Snell ME, Potter SA, Snell EH. Crystal cookery – using high-throughput technologies and the grocery store as a teaching tool. J Appl Crystallogr. 2010 Oct 1;43(Pt 5):1189-1207.
- Chayen, NE, Helliwell, JR, and Snell EH. Macromolecular Crystallization and Crystal Perfection. IUCr Monographs in Crystallography Number 24, Oxford University Press (2010).
2009
2008
- Snell EH, Lauricella AM, Potter SA, Luft JR, Gulde SM, Collins RJ, Franks G, Malkowski MG, Cumbaa C, Jurisica I, DeTitta GT. Establishing a training set through the visual analysis of crystallization trials. Part II: crystal examples. Acta Crystallogr D Biol Crystallogr. 2008 Nov;64(Pt 11):1131-7.
- Snell EH, Luft JR, Potter SA, Lauricella AM, Gulde SM, Malkowski MG, Koszelak-Rosenblum M, Said MI, Smith JL, Veatch CK, Collins RJ, Franks G, Thayer M, Cumbaa C, Jurisica I, Detitta GT. Establishing a training set through the visual analysis of crystallization trials. Part I: approximately 150,000 images. Acta Crystallogr D Biol Crystallogr. 2008 Nov;64(Pt 11):1123-30.
- Kempkes R, Stofko E, Lam K, Snell EH. Glycerol concentrations required for the successful vitrification of cocktail conditions in a high-throughput crystallization screen. Acta Crystallogr D Biol Crystallogr. 2008 Mar;64(Pt 3):287-301.
- Snell EH, Nagel RM, Wojtaszcyk A, O’Neill H, Wolfley JL, Luft JR. The application and use of chemical space mapping to interpret crystallization screening results. Acta Crystallogr D Biol Crystallogr. 2008 Dec;64(Pt 12):1240-9.
- Nagel RM, Luft JR, Snell EH. AutoSherlock: a program for effective crystallization data analysis. J Appl Crystallogr. 2008 Dec 1;41(Pt 6):1173-1176.
2007
- Juers DH, Lovelace J, Bellamy HD, Snell EH, Matthews BW, Borgstahl GE. Changes to crystals of Escherichia coli beta-galactosidase during room-temperature/low-temperature cycling and their relation to cryo-annealing. Acta Crystallogr D Biol Crystallogr. 2007 Nov;63(Pt 11):1139-53.
- Deng X, Habel JE, Kabaleeswaran V, Snell EH, Wold MS, Borgstahl GE. Structure of the full-length human RPA14/32 complex gives insights into the mechanism of DNA binding and complex formation. J Mol Biol. 2007 Dec 7;374(4):865-76.
- Luft JR, Wolfley JR, Said MI, Nagel RM, Lauricella AM, Smith JL, Thayer MH, Veatch CK, Snell EH, Malkowski MG, Detitta GT. Efficient optimization of crystallization conditions by manipulation of drop volume ratio and temperature. Protein Sci. 2007 Apr;16(4):715-22.
- Snell EH, Bellamy HD, Rosenbaum G, van der Woerd MJ. Non-invasive measurement of X-ray beam heating on a surrogate crystal sample. J Synchrotron Radiat. 2007 Jan;14(Pt 1):109-15.
2006
2005
- Snell, EH, and Helliwell, JR. Macromolecular Crystallization in Microgravity. Reports on Progress in Physics, 68, 799-853 (2005).
- Snell, EH, van der Woerd, MJ, Miller, MD and Deacon, AM. Finding a cold needle in a warm haystack: Infrared imaging applied to locating cryocooled crystals. Journal of Applied Crystallography, 38, 69-77 (2005).
- Judge RA, Snell EH, van der Woerd MJ. Extracting trends from two decades of microgravity macromolecular crystallization history. Acta Crystallogr D Biol Crystallogr. 2005 Jun;61(Pt 6):763-71.
2004
- Lovelace, JJ, Narayan, K, Chik, JK, Bellamy, HD, Snell, EH, Lindberg, U, Schutt, CE and Borgstahl, GEO. Imaging modulated reflections from a semi-crystalline state of profiling:actin. J. Applied Crystallography 37, 327-330 (2004).
- Lovelace, JJ, Soares, A, Bellamy, HD, Sweet, RM, Snell, EH and Borgstahl, GEO. First results of digital topography applied to macromolecular crystals. J. Applied Crystallography 37, 481-485 (2004).
2003
2002
- McFerrin, M and Snell, EH. The development and application of a method to quantify the quality of cryoprotectant conditions using standard area detector X-ray images. J. Appl. Cryst. 35, 538-545 (2002).
- Snell EH, Judge RA, Larson M, van der Woerd MJ. Seeing the heat — preliminary studies of cryocrystallography using infrared imaging. J Synchrotron Radiat. 2002 Nov 1;9(Pt 6):361-7.
- Barnes CL, Snell EH, Kundrot CE. Thaumatin crystallization aboard the International Space Station using liquid-liquid diffusion in the Enhanced Gaseous Nitrogen Dewar (EGN). Acta Crystallogr D Biol Crystallogr. 2002 May;58(Pt 5):751-60.
- Judge, RA., Snell, EH. and Pusey, ML. Free-falling crystals: Biological macromolecular crystal growth studies in low earth orbit. Dev. Chem. Eng. Mineral Process. 10(5/6) 479-488 (2002).
- Helliwell, JR, Snell, EH, Chayen, NE, Judge, RA, Boggon, TJ and Pusey, ML. Fluid Flows and Macromolecular Growth in Microgravity, Published in Physics of Fluids in Microgravity, ch 14, pages 489-514. Taylor and Francis. Editor, R. Monti (2002).
2001
- Borgstahl GE, Vahedi-Faridi A, Lovelace J, Bellamy HD, Snell EH. A test of macromolecular crystallization in microgravity: large well ordered insulin crystals. Acta Crystallogr D Biol Crystallogr. 2001 Aug;57(Pt 8):1204-7.
- Snell, EH, Judge, RA, Crawford, L, Forsythe, EL, Pusey, ML, Sportiello, M, Todd, P, Bellamy, H, Lovelace, J, Cassanto, Borgstahl, GEO. Investigating the effect of impurities on macromolecule crystal growth in microgravity. Crystal Growth and Design, 1, 2, 151-158 (2001).
- Kundrot, CE, Judge, RA, Pusey, ML, & Snell, EH. Microgravity and Macromolecualr Crystallography. Crystal Growth and Design. Crystal Growth and Design, 1, 87-99 (2001).
2000
- Borgstahl GE, Pokross M, Chehab R, Sekher A, Snell EH. Cryo-trapping the six-coordinate, distorted-octahedral active site of manganese superoxide dismutase. J Mol Biol. 2000 Mar 3;296(4):951-9.
- Lovelace, J, Snell, EH, Pokross, M, Arvai, A, Nielsen, C, Nguyen, X, Bellamy, H and Borgstahl, GEO. BEAM-ish: A graphical user interface for the physical characterization of macromolecular crystals. J. Applied Crystallography, 33, 1187-1188 (2000).
- Bellamy HD, Snell EH, Lovelace J, Pokross M, Borgstahl GE. The high-mosaicity illusion: revealing the true physical characteristics of macromolecular crystals. Acta Crystallogr D Biol Crystallogr. 2000 Aug;56(Pt 8):986-95.
- Boggon TJ, Helliwell JR, Judge RA, Olczak A, Siddons DP, Snell EH, Stojanoff V. Synchrotron X-ray reciprocal-space mapping, topography and diffraction resolution studies of macromolecular crystal quality. Acta Crystallogr D Biol Crystallogr. 2000 Jul;56(Pt 7):868-80.
1999
- EL Forsythe, EH Snell, CC Malone and ML Pusey. Crystallization of chicken egg white lysozyme from assorted sulphate salts. J.Cryst. Growth, 196, 332-343. (1999).
- Judge RA, Jacobs RS, Frazier T, Snell EH, Pusey ML. The effect of temperature and solution pH on the nucleation of tetragonal lysozyme crystals. Biophys J. 1999 Sep;77(3):1585-93.
- Snell, EH, Chayen, NE and Helliwell, JR. Crystallization of biological molecules in microgravity. The Biochemist, Vol 21, 6, 19-24 (1999).
1998
- Boggon, TJ, Chayen, NE, Snell, EH, Dong, J, Lautenschlager, P, Potthast, L, Siddons, DP, Stojanoff, V, Gordon, E, Thompson, AW, Zagalsky, PF, Bi, R-C, and Helliwell, JR. Protein crystal movements and fluid flows during microgravity growth. Phil. Trans. R. Soc. Lond. A.356, 1045-1061 (1998).
- Snell, E.H. Quality evaluation of macromolecular crystals using X-ray mosaicity measurements. Proceedings of the Montreal Spacebound 1997 meeting, Canadian Space Agency, 306-315. (1998).
- Ho JX, Snell EH, Sisk RC, Ruble JR, Carter DC, Owens SM, Gibson WM. Stationary crystal diffraction with a monochromatic convergent X-ray source and application for macromolecular crystal data collection. Acta Crystallogr D Biol Crystallogr. 1998 Mar 1;54(Pt 2):200-14.
1997
- Forsythe EL, Snell EH, Pusey ML. Crystallization of chicken egg-white lysozyme from ammonium sulfate. Acta Crystallogr D Biol Crystallogr. 1997 Nov 1;53(Pt 6):795-7.
- Snell EH, Boggon TJ, Helliwell JR, Moskowitz ME, Nadarajah A. CCD video observation of microgravity crystallization of lysozyme and correlation with accelerometer data. Acta Crystallogr D Biol Crystallogr. 1997 Nov 1;53(Pt 6):747-55.
- Snell EH, Cassetta A, Helliwell JR, Boggon TJ, Chayen NE, Weckert E, Holzer K, Schroer K, Gordon EJ, Zagalsky PF. Partial improvement of crystal quality for microgravity-grown apocrustacyanin C1. Acta Crystallogr D Biol Crystallogr. 1997 May 1;53(Pt 3):231-9.
- Chayen, NE, Snell, EH, Helliwell, JR and Zagalsky, PF. CCD video observation of microgravity crystallization: apocrustacyanin C1. J. Cryst. Growth 171, 219-225 (1997).
- Bradbrook, G, Deacon, A, Habash, J, Helliwell, JR, Helliwell, M, Nieh, YP, Snell, EH, Trapini, S, Thompson, AW, Campbell , JW, Allinson , NM , Moon, K, Ursby, T, and Wulff, M. Laue and Monochromatic Developments for Time resolved biological and pertubation chemical crystallography. Oxford Series on Synchrotron Radiation 2, Oxford University Press. Time Resolved Diffraction (1997)
1996
- Snell EH, Helliwell JR, Boggon TJ, Lautenschlager P, Potthast L. Lysozyme crystal growth kinetics monitored using a Mach-Zehnder interferometer. Acta Crystallogr D Biol Crystallogr. 1996 May 1;52(Pt 3):529-33.
- Chayen NE, Boggon TJ, Cassetta A, Deacon A, Gleichmann T, Habash J, Harrop SJ, Helliwell JR, Nieh YP, Peterson MR, Raftery J, Snell EH, Hädener A, Niemann AC, Siddons DP, Stojanoff V, Thompson AW, Ursby T, Wulff M. Trends and challenges in experimental macromolecular crystallography. Q Rev Biophys. 1996
- Stojanoff, V, Siddons, DP, Snell, EH and Helliwell, JR. X-ray topography: An old technique with a new application. Synchrotron Radiation News 9, 25-26 (1996).
- Helliwell, JR, Snell, EH, & Weisgerber, S. An Investigation of the perfection of lysozyme protein crystals grown in microgravity and on earth. Springer Lecture notes in Physics. Vol 464, Ch. 30 edited by Ratke, L., Walter, H. & Feuerbache, B. Springer Verlag, 155-170 (1996).
1995 and earlier
- Snell EH, Weisgerber S, Helliwell JR, Hölzer K, Schroer K. Improvements in lysozyme protein crystal perfection through microgravity growth. Acta Crystallogr D Biol Crystallogr. 1995 Nov 1;51(Pt 6):1099-102.
- Snell, E, Habash, J, Helliwell, M, Helliwell, JR, Raftery, J, Kaucic, V and Campbell, JW. Image-plate synchrotron Laue data collection and structural analysis of a small test crystal of a Nickel-containing aluminophosphate. J. Synchrotron Rad. 2, 22-26 (1995).
- Bradbrook, G, Deacon, A, Habash, J, Helliwell, JR, Helliwell, M, Nieh, YP, Snell, EH, Trapini, S, Thompson, AW, Campbell, JW, Allinson, NM, Moon, K, Ursby, T, and Wulff, M. Time resolved biological and pertubation chemical crystallography: Laue and monochromatic developments. SPIE 2521, 160-177 (1995).
- Campbell , JW, deacon, A, Habash, J, Helliwell, JR, McSweeney, S, Quan, H, Raftery, J and Snell, E. Electron density maps of lysozyme calculated using synchrotron Laue data comprising singles and deconvoluted multiples. Bull. Mater. Sci., 17,1, 1-18 (1994).
- Cassetta, A, Deacon, A, Emmerich, C, Habash, J, Helliwell, JR, McSweeney, S, Snell, E, Thompson, AW and Weisgerber, S. The emergence of the synchrotron Laue method for rapid data collection from protein crystals. Proc. R. Soc. Lond. A, 177-192 (1993).
