Direct Methods for Solving Macromolecular Structures

Direct Methods for Solving Macromolecular Structures PDF Author: S. Fortier
Publisher: Springer Science & Business Media
ISBN: 9401590931
Category : Science
Languages : en
Pages : 505

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Book Description
This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.

Direct Methods for Solving Macromolecular Structures

Direct Methods for Solving Macromolecular Structures PDF Author: S. Fortier
Publisher: Springer Science & Business Media
ISBN: 9401590931
Category : Science
Languages : en
Pages : 505

Get Book Here

Book Description
This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.

Direct Methods of Solving Crystal Structures

Direct Methods of Solving Crystal Structures PDF Author: Henk Schenk
Publisher: Springer
ISBN:
Category : Science
Languages : en
Pages : 464

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Book Description
Proceedings of the 18th course of the International School of Crystallography, held April 1990, in Erice, Italy. Annotation copyrighted by Book News, Inc., Portland, OR

International Tables for Crystallography, Volume B

International Tables for Crystallography, Volume B PDF Author: Uri Shmueli
Publisher: Springer Science & Business Media
ISBN: 9781402082054
Category : Science
Languages : en
Pages : 704

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Book Description
International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.

An Introduction to Synchrotron Radiation

An Introduction to Synchrotron Radiation PDF Author: Philip Willmott, PhD
Publisher: John Wiley & Sons
ISBN: 1119972868
Category : Science
Languages : en
Pages : 370

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Book Description
This book introduces the reader to the basic concepts of the generation and manipulation of synchrotron light, its interaction with matter, and the application of synchrotron light in the “classical” techniques, while including some of the most modern technological developments. As much as possible, complicated mathematical derivations and formulas are avoided. A more heuristic approach is adopted, whereby the general physical reasoning behind the equations is highlighted. Key features: A general introduction to synchrotron radiation and experimental techniques using synchrotron radiation Contains many detailed “worked examples” from the literature Of interest for a broad audience - synchrotrons are possibly one of the best examples of multidisciplinary research Four-colour presentation throughout

Electron Crystallography

Electron Crystallography PDF Author: Xiaodong Zou
Publisher: Oxford University Press
ISBN: 0191004804
Category : Science
Languages : en
Pages : 345

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Book Description
In the modern world of ever smaller devices and nanotechnology, electron crystallography emerges as the most important method capable of determining the structure of minute objects down to the size of individual atoms. Crystals of only a few millionths of a millimetre are studied. This is the first textbook explaining how this is done. Great attention is given to symmetry in crystals and how it manifests itself in electron microscopy and electron diffraction, and how this symmetry can be determined and taken advantage of in achieving improved electron microscopy images and solving crystal structures from electron diffraction patterns. Theory and practice are combined; experimental images, diffraction patterns, formulae and numerical data are discussed in parallel, giving the reader a complete understanding of what goes on inside the "black boxes" of computer programs. This up-to-date textbook contains the newest techniques in electron crystallography, including detailed descriptions and explanations of the recent remarkable successes in determining the very complex structures of zeolites and intermetallics. The controversial issue of whether there is phase information present in electron micrsocopy images or not is also resolved once and for all. The extensive appendices include computer labs which have been used at various courses at Stockholm University and international schools in electron crystallography, with applications to the textbook. Students can download image processing programs and follow these lab instructions to get a hands-on experience of electron crystallography.

Biomolecular Crystallography

Biomolecular Crystallography PDF Author: Bernhard Rupp
Publisher: Garland Science
ISBN: 1134064195
Category : Science
Languages : en
Pages : 832

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Book Description
Synthesizing over thirty years of advances into a comprehensive textbook, Biomolecular Crystallography describes the fundamentals, practices, and applications of protein crystallography. Illustrated in full-color by the author, the text describes mathematical and physical concepts in accessible and accurate language. Biomolecular Crystallography will be a valuable resource for advanced undergraduate and graduate students and practitioners in structural biology, crystallography, and structural bioinformatics.

Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition

Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition PDF Author: Vitalij Pecharsky
Publisher: Springer Science & Business Media
ISBN: 0387095780
Category : Science
Languages : en
Pages : 751

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Book Description
A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .

Industrial Applications of X-Ray Diffraction

Industrial Applications of X-Ray Diffraction PDF Author: Frank Smith
Publisher: CRC Press
ISBN: 0824719921
Category : Science
Languages : en
Pages : 1026

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Book Description
By illustrating a wide range of specific applications in all major industries, this work broadens the coverage of X-ray diffraction beyond basic tenets, research and academic principles. The book serves as a guide to solving problems faced everyday in the laboratory, and offers a review of the current theory and practice of X-ray diffraction, major advances and potential uses.

Springer Handbook of Microscopy

Springer Handbook of Microscopy PDF Author: Peter W. Hawkes
Publisher: Springer Nature
ISBN: 3030000699
Category : Technology & Engineering
Languages : en
Pages : 1561

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Book Description
This book features reviews by leading experts on the methods and applications of modern forms of microscopy. The recent awards of Nobel Prizes awarded for super-resolution optical microscopy and cryo-electron microscopy have demonstrated the rich scientific opportunities for research in novel microscopies. Earlier Nobel Prizes for electron microscopy (the instrument itself and applications to biology), scanning probe microscopy and holography are a reminder of the central role of microscopy in modern science, from the study of nanostructures in materials science, physics and chemistry to structural biology. Separate chapters are devoted to confocal, fluorescent and related novel optical microscopies, coherent diffractive imaging, scanning probe microscopy, transmission electron microscopy in all its modes from aberration corrected and analytical to in-situ and time-resolved, low energy electron microscopy, photoelectron microscopy, cryo-electron microscopy in biology, and also ion microscopy. In addition to serving as an essential reference for researchers and teachers in the fields such as materials science, condensed matter physics, solid-state chemistry, structural biology and the molecular sciences generally, the Springer Handbook of Microscopy is a unified, coherent and pedagogically attractive text for advanced students who need an authoritative yet accessible guide to the science and practice of microscopy.

Phasing in Crystallography

Phasing in Crystallography PDF Author: Carmelo Giacovazzo
Publisher: Oxford University Press, USA
ISBN: 0199686998
Category : Science
Languages : en
Pages : 433

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Book Description
The book describes phasing techniques in modern crystallography. The main text is dedicated to their simple description, and further mathematical details are contained in the appendices. Practical aspects are described for each specific method, making it a useful tool for the daily work of practising crystallographers.