Phasing in Crystallography: A Modern Perspective

Hardcover | December 20, 2013

byCarmelo Giacovazzo

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Modern crystallographic methods originate from the synergy of two main research streams, the small-molecule and the macro-molecular streams. The first stream was able to definitively solve the phase problem for molecules up to 200 atoms in the asymmetric unit. The achievements obtained by themacromolecular stream are also impressive. A huge number of protein structures have been deposited in the Protein Data Bank. The solution of them is no longer reserved to an elite group of scientists, but may be attained in a large number of laboratories around the world, even by young scientists. New probabilistic approaches have been tailored to deal with larger structures, errors in the experimental data, and modest data resolution. Traditional phasing techniques like ab initio, molecular replacement, isomorphous replacement, and anomalous dispersion techniques have been revisited. The newapproaches have been implemented in robust phasing programs, which have been organized in automatic pipelines usable even by non-experts. Protein structures, which 50 years ago could take months or even years to solve, can now be solved in a matter of hours, partly also due to technological advancesin computer science.This book describes all modern crystallographic phasing methods, and introduces a new rational classification of them. A didactic approach is used, with the techniques described simply and logically in the main text, and further mathematical details confined to the Appendices for motivated readers.Numerous figures and applicative details illustrate the text.

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Modern crystallographic methods originate from the synergy of two main research streams, the small-molecule and the macro-molecular streams. The first stream was able to definitively solve the phase problem for molecules up to 200 atoms in the asymmetric unit. The achievements obtained by themacromolecular stream are also impressive. A...

Carmelo Giacovazzo is Professor of Crystallography at Bari University. Director of CNR - IC Institute from 1992 to 2008. President of the European Crystallographic Association from 1997 to 2000. Winner of the European Prize Italgas 1996 for Scientific Research and Innovation; European Crystallographic Association Prize 2003. Editor of...

other books by Carmelo Giacovazzo

Format:HardcoverDimensions:480 pagesPublished:December 20, 2013Publisher:Oxford University PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0199686998

ISBN - 13:9780199686995

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Table of Contents

1. Fundamentals of crystallography2. Wilson statistics3. The origin problem, invariants and seminvariants4. The method of joint probability distribution functions, neighborhoods and representations5. The probabilistic estimation of triplet and quartet invariants6. Traditional direct phasing procedures7. Joint probability distribution functions when a model is available: the Fourier syntheses8. Phase improvement and extension9. Charge flipping and VLD (Vive la difference)10. Patterson methods and direct space properties11. Phasing via electron and neutron diffraction data12. Phasing methods for powder data13. Molecular replacement14. Isomorphous replacement techniques15. Anomalous dispersion techniquesMathematical Appendices