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Ab Initio Low Resolution Phasing

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Advancing Methods for Biomolecular Crystallography

Abstract

Low resolution ab initio phasing technique may give the first crystallographic images of macromolecules or their complexes when other crystallographic approaches fail to do it due to poor diffraction quality of crystals, in particular those for membrane proteins. This phasing technique uses a set of observed structure factor magnitudes and some general (mathematical) properties of correct low-resolution Fourier syntheses to restore phase values. The paper gives a review of such general properties and discusses the features of their application.

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References

  1. Baker D, Krukowski AE, Agard DA (1993) Uniqueness and the ab initio phase problem in macromolecular crystallography. Acta Crystallogr D 49:186–192

    Article  CAS  Google Scholar 

  2. Bricogne G, Gilmore CJ (1990) A multisolution method of phase determination by combined maximization of entropy and likelihood. I. Theory, algorithms and strategy. Acta Crystallogr A 46:284–297

    Article  Google Scholar 

  3. Lunin VY (1993) Electron-density histograms and the phase problem. Acta Crystallogr D 49:90–99

    Article  CAS  Google Scholar 

  4. Lunin VY, Lunina NL (1996) The map correlation coefficient for optimally superposed maps. Acta Crystallogr A 52:365–368

    Article  Google Scholar 

  5. Lunin VY, Urzhumtsev AG (1984) Improvement of protein phases by coarse model modification. Acta Crystallogr A 40:269–277

    Article  Google Scholar 

  6. Lunin VY, Woolfson MM (1993) Mean phase error and the map correlation coefficient. Acta Crystallogr D 49:530–533

    Article  CAS  Google Scholar 

  7. Lunin VY, Urzhumtsev AG, Skovoroda TP (1990) Direct low-resolution phasing from electron-density histograms in protein crystallography. Acta Crystallogr A 46:540–544

    Article  Google Scholar 

  8. Lunin VY, Lunina N, Petrova T, Vernoslova E, Urzhumtsev A, Podjarny A (1995) On the ab initio solution of the phase problem for macromolecules at very low resolution: the Few Atoms Model method. Acta Crystallogr D 51:896–903

    Article  CAS  Google Scholar 

  9. Lunin VY, Lunina NL, Petrova TE, Urzhumtsev AG, Podjarny AD (1998) On the ab initio solution of the phase problem for macromolecules at very low resolution. II. Generalized likelihood based approach to cluster discrimination. Acta Crystallogr D 54:726–734

    Article  CAS  Google Scholar 

  10. Lunin VY, Lunina N, Urzhumtsev A (2000) Topological properties of high density regions and ab initio phasing at low resolution. Acta Crystallogr A 56:375–382

    Article  Google Scholar 

  11. Lunin VY, Lunina N, Petrova T, Skovoroda T, Urzhumtsev A, Podjarny A (2000) Low resolution ab initio phasing. Problems and advances. Acta Crystallogr D 56:1223–1232

    Article  CAS  Google Scholar 

  12. Lunin VY, Lunina N, Ritter S, Frey I, Keul J, Diederichs K, Podjarny A, Urzhumtsev A, Baumstark M (2001) Low-resolution data analysis for the low-density lipoprotein particle. Acta Crystallogr D 57:108–121

    Article  CAS  Google Scholar 

  13. Lunin VY, Lunina N, Podjarny A, Bockmayr A, Urzhumtsev A (2002) Ab initio phasing starting from low resolution. Z Kristallogr 217:668–685

    Article  CAS  Google Scholar 

  14. Lunin VY, Urzhumtsev AG, Podjarny A (2012) Ab initio phasing of low resolution Fourier syntheses. In: Arnold E, Himmel DM, Rossmann MG (eds) International tables for crystallography F, 2nd edn. Wiley, Chichester, pp 437–442

    Chapter  Google Scholar 

  15. Lunin VY, Lunina NL, Casutt MS, Knoops K, Schaffitzel C, Steuber J, Fritz G, Baumstark MW (2012) Low resolution structure determination of Na+-translocating NADH: ubiquinone oxidoreductase from Vibrio cholerae by ab initio phasing and electron microscopy. Acta Crystallogr D 68:724–731

    Article  Google Scholar 

  16. Petrova T, Lunin VY, Podjarny A (2000) Ab initio low-resolution phasing in crystallography of macromolecules by maximization of likelihood. Acta Crystallogr D 56:1245–1252

    Article  CAS  Google Scholar 

  17. Ritter S, Diederichs K, Frey I, Berg A, Keul J, Baumstark M (1999) Crystallization of human low density lipoprotein (LDL), a large lipid-protein complex: collection of X-ray data at very low resolution. J Crystallogr Growth 196:344–349

    Article  CAS  Google Scholar 

  18. Sheldrick GM, Gilmore CJ, Hauptman HA, Weeks CM, Miller R, Usón I (2012) Ab initio phasing. In: Arnold E, Himmel DM, Rossmann MG (eds) International tables for crystallography F, 2nd edn. Wiley, Chichester, pp 413–432

    Chapter  Google Scholar 

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Acknowledgments

VYL and NLL were supported by RFBR grant 10-04-00254-a. The authors thank M.W. Baumstark, G. Fritz, M.S. Casut, K. Knoops, C. Schaffitzel and J. Steuber for highly fruitful collaboration in study of low resolution structure of Na+-NQR which was describe as an example of phasing in this paper.

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Correspondence to Vladimir Y. Lunin .

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Lunin, V.Y., Lunina, N.L., Urzhumtsev, A.G. (2013). Ab Initio Low Resolution Phasing. In: Read, R., Urzhumtsev, A., Lunin, V. (eds) Advancing Methods for Biomolecular Crystallography. NATO Science for Peace and Security Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-6232-9_17

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