Abstract
Protein powder samples offer many technical challenges for powder diffraction experiments and data analysis. Samples are sensitive to radiation damage and the large unit cells lead to severe peak overlaps, creating interesting challenges. Powder diffraction remains as the unique tool to characterize certain polymorphic forms of crystalline proteins.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Von Dreele RB (1999) Combined Rietveld and stereochemical restraint refinement of a protein crystal structure. J Appl Crystallogr 32:1084–1089
Larson AC, Von Dreele RB (1994) General Structure Analysis System (GSAS), Los Alamos National Laboratory Report LAUR, pp 86–748. see: http://www.ccp14.ac.uk/solution/gsas/
Margiolaki I, Wright JP (2008) Powder crystallography on macromolecules. Acta Crystallogr A64:169–180
Von Dreele RB (2003) Protein crystal structure analysis from high-resolution X-ray powder-diffraction data. Methods Enzymol 368:254–267
Margiolaki I, Wright JP, Fitch AN, Fox GC, Labrador A, Von Dreele RB, Miura K, Gozzo F, Schiltz M, Besnard C, Camus F, Pattison P, Beckers D, Degen T (2007) Powder diffraction studies on proteins: an overview of data collection approaches. Zeitschrift für Kristallographie Suppl 26:1–13
Watier Y, Fitch AN (2010) Protein powder diffraction with Topas. Mater Sci Forum 651:117–129
Hartmann CG, Nielsen OF, Ståhl K, Harris P (2010) In-house characterization of protein powder. J Appl Crystallogr 43:876–882
Fenn TD, Schnieders MJ, Brunger AT (2010) A smooth and differentiable bulk-solvent model for macromolecular diffraction. Acta Crystallogr D66:1024–1031
Jenner MJ, Wright JP, Margiolaki I, Fitch AN (2007) Successful protein cryocooling for powder diffraction. J Appl Crystallogr 40:121–124
Watier Y (2011) Powder diffraction studies of proteins. Ph.D thesis, University Joseph Fourier, Grenoble
Bergamaschi A, Cervellino A, Dinapoli R, Gozzo F, Henrich B, Johnson I, Kraft P, Mozzanica A, Schmitt B, Shi X (2010) The MYTHEN detector for X-ray powder diffraction experiments at the Swiss Light Source. J Synchrotron Radiat 17:653–668
Doebbler JA, Von Dreele RB (2009) Application of molecular replacement to protein powder data from image plates. Acta Crystallogr D65:348–355
Vaughan GBM, Wright JP, Bytchkov A, Rossat M, Gleyzolle H, Snigireva I, Snigirev A (2011) X-ray transfocators: focusing devices based on compound refractive lenses. J Synchrotron Radiat 18:125–133
Papageorgiou N, Watier Y, Saunders L, Coutard B, Lantez V, Gould EA, Fitch AN, Wright JP, Canard B, Margiolaki I (2010) Preliminary insights into the non structural protein 3 macro domain of the Mayaro virus by powder diffraction. Zeitschrift für Kristallographie 225:576–580
Oka T, Miura K, Inoue K, Ueki T, Yagi N (2006) High-resolution powder diffraction study of purple membrane with a large Guinier-type camera. J Synchrotron Radiat 13:281–284
Wright JP http://sourceforge.net/apps/trac/fable/wiki/imaged11
Paithankar KS, Sorensen HO, Wright JP, Schmidt S, Poulsen HF, Garman EF (2011) Simultaneous X-ray diffraction from multiple single crystals of macromolecules. Acta Crystallogr D 67:608–618
David WIF, Shankland K, Shankland N (1998) Routine determination of molecular crystal structures from powder diffraction data. Chem Commun 931
Brunelli M, Wright JP, Vaughan GBM, Mora AJ, Fitch AN (2003) Solving larger molecular crystal structures from powder diffraction data by exploiting anisotropic thermal expansion. Angew Chem Int Ed 42:2029–2032
Margiolaki I, Wright JP, Wilmanns M, Fitch AN, Pinotsis N (2007) Second SH3 Do-main of ponsin solved from powder diffraction. J Am Chem Soc 129:11865–11871
Basso S, Fitch AN, Fox GC, Margiolaki I, Wright JP (2005) High-throughput phase-diagram mapping via powder diffraction: a case study of HEWL versus pH. Acta Crystallogr D61:1612–1625
Von Dreele RB (2007) Multipattern Rietveld refinement of protein powder data: an approach to higher resolution. J Appl Crystallogr 40:133–143
Besnard C, Camus F, Fleurant M, Dahlström A, Wright JP, Margiolaki I, Pattison P, Schiltz M (2007) Exploiting X-ray induced anisotropic lattice changes to improve intensity extraction in protein powder diffraction: application to heavy atom detection. Zeitschrift für Kristallographie Suppl 26:39–44
Wright JP, Markvardsen AJ, Margiolaki I (2007) Likelihood methods with protein powder diffraction data. Z Kristallogr Suppl 26:27–32
Wright JP, Besnard C, Margiolaki I, Basso S, Camus F, Fitch AN, Fox GC, Pattison P, Schiltz M (2008) Molecular envelopes derived from protein powder diffraction data. J Appl Crystallogr 41:329–339
Basso S, Besnard C, Wright JP, Margiolaki I, Fitch AN, Pattison P, Schiltz M (2010) Features of the secondary structure of a protein molecule from powder diffraction data. Acta Crystallogr D66:756–776
Helliwell JR, Bell AMT, Bryant P, Fisher S, Habash J, Madeleine H, Irene M, Kaenket S, Yves W, Wright JP, Yalamanchilli S (2010) Time-dependent analysis of K2PtBr6 binding to lysozyme studied by protein powder and single crystal X-ray analysis. Zeitschrift für Kristallographie 225:570–575
Prandl W (1990) Phase determination and Patterson maps from multiwave powder data. Acta Crystallogr A46:988–992
Prandl W (1994) Phase determination from X-ray powder diffraction data. II. Partial Patterson maps and the localization of anomalously scattering atoms. Acta Crystallogr A50:52–55
Altomare A, Burla MC, Cuocci C, Giacovazzo C, Gozzo F, Moliterni A, Polidori G, Rizzi R (2009) MAD techniques applied to powder data: finding the structure given the sub-structure. Acta Crystallogr A65:291–299
Altomare A, Belviso BD, Burla MC, Campi G, Cuocci C, Giacovazzo C, Gozzo F, Moliterni A, Polidori G, Rizzi R (2009) Multiple-wavelength anomalous dispersion techniques applied to powder data: a probabilistic method for finding the substructure via joint probability distribution functions. J Appl Crystallogr 42:30–35
Wright JP (2004) Extraction and use of correlated integrated intensities with powder diffraction data. Zeitschrift für Kristallographie 219:791–802
Schroeder GF, Levitt M, Brunger AT (2010) Super-resolution biomolecular crystallography with low-resolution data. Nature 464:1218–1222
Chapman HN, Fromme P, Barty A, White TA, Kirian RA, Aquila A, Hunter MS, Schulz J, DePonte DP, Weierstall U (2011) Femtosecond X-ray protein nanocrystallography. Nature 470:73–77
Acknowledgements
I am especially grateful to my collaborators in this adventure into protein powder diffraction; Irene Margiolaki, Yves Watier and Andy Fitch and all of the students and colleagues who have carried the work that was summarized here. We thank the ESRF for provision of synchrotron beamtime.
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2012 Springer Science+Business Media Dordrecht
About this paper
Cite this paper
Wright, J.P. (2012). Proteins and Powders: Technical Developments. In: Kolb, U., Shankland, K., Meshi, L., Avilov, A., David, W. (eds) Uniting Electron Crystallography and Powder Diffraction. NATO Science for Peace and Security Series B: Physics and Biophysics. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-5580-2_12
Download citation
DOI: https://doi.org/10.1007/978-94-007-5580-2_12
Published:
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-007-5579-6
Online ISBN: 978-94-007-5580-2
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)