Determination of domain structure of proteins from X-ray solution scattering.
TLDR
The new method substantially improves the resolution and reliability of models derived from scattering data and makes solution scattering a useful technique in large-scale structural characterization of proteins.About:
This article is published in Biophysical Journal.The article was published on 2001-06-01 and is currently open access. It has received 1363 citations till now. The article focuses on the topics: Biological small-angle scattering & Scattering.read more
Citations
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New developments in the ATSAS program package for small-angle scattering data analysis
Maxim V. Petoukhov,Daniel Franke,Alexander V. Shkumatov,Giancarlo Tria,Alexey Kikhney,Michal J. Gajda,Christian Gorba,Haydyn D. T. Mertens,Petr V. Konarev,Dmitri I. Svergun +9 more
TL;DR: The paper presents new developments and amendments to the ATSAS package (version 2.4) for processing and analysis of isotropic small-angle scattering data.
Journal ArticleDOI
DAMMIF, a program for rapid ab-initio shape determination in small-angle scattering
Daniel Franke,Dmitri I. Svergun +1 more
TL;DR: DAMMIF, an enhanced and significantly faster implementation of the ab-initio shape-determination program DAMMIN for small-angle scattering data, is presented.
Journal ArticleDOI
ATSAS 2.8: a comprehensive data analysis suite for small-angle scattering from macromolecular solutions
Daniel Franke,Maxim V. Petoukhov,Maxim V. Petoukhov,Peter V. Konarev,Peter V. Konarev,Alejandro Panjkovich,Anne T. Tuukkanen,Haydyn D. T. Mertens,Alexey Kikhney,Nelly R. Hajizadeh,J.M. Franklin,Cy M. Jeffries,Dmitri I. Svergun +12 more
TL;DR: Developments and improvements of the ATSAS software suite for analysis of small-angle scattering data of biological macromolecules or nanoparticles are described.
Journal ArticleDOI
X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution.
TL;DR: In this article, a review of the use of small angle X-ray scattering (SAXS) for modeling macromolecular folding, unfolding, aggregation, extended conformations, flexibly linked domains, shape, conformation, and assembly state in solution, albeit at the lower resolution range of about 50 A to 10 A resolution, is presented.
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Small-angle scattering studies of biological macromolecules in solution
TL;DR: Small-angle scattering (SAS) of x-rays and neutrons is a fundamental tool in the study of biological macromolecules as mentioned in this paper, which allows one to study the structure of native particles in near physiological environments and analyse structural changes in response to variations in external conditions.
References
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Optimization by Simulated Annealing
TL;DR: There is a deep and useful connection between statistical mechanics and multivariate or combinatorial optimization (finding the minimum of a given function depending on many parameters), and a detailed analogy with annealing in solids provides a framework for optimization of very large and complex systems.
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The Protein Data Bank: a computer-based archival file for macromolecular structures.
Frances C. Bernstein,Thomas F. Koetzle,Graheme J. B. Williams,Edgar F. Meyer,Michael D. Brice,John R. Rodgers,O. Kennard,Takehiko Shimanouchi,Mitsuo Tasumi +8 more
TL;DR: The Protein Data Bank is a computer-based archival file for macromolecular structures that stores in a uniform format atomic co-ordinates and partial bond connectivities, as derived from crystallographic studies.
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CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TL;DR: In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.
Journal ArticleDOI
The Protein Data Bank: a computer-based archival file for macromolecular structures
Frances C. Bernstein,Thomas F. Koetzle,Graheme J. B. Williams,Edgar F. Meyer,Michael D. Brice,John R. Rodgers,O. Kennard,Takehiko Shimanouchi,Mitsuo Tasumi +8 more
TL;DR: The Protein Data Bank is a computer-based archival file for macromolecular structures that stores in a uniform format atomic co-ordinates and partial bond connectivities, as derived from crystallographic studies.
Journal ArticleDOI
Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing.
TL;DR: Application of the method is illustrated by the restoration of a ribosome-like model structure and more realistically by the determination of the shape of several proteins from experimental x-ray scattering data.