Publication date: Available online 3 April 2014 Source:Progress in Nuclear Magnetic Resonance Spectroscopy
Author(s): Charles D. Schwieters , G. Marius Clore
This contribution describes the use of small and wide angle X-ray and small angle neutron scattering for biomolecular structure calculation using the program Xplor-NIH, both with and without NMR data. The current algorithms used for calculating scattering curves are described, and the use of scattering data as a structural restraint is given concrete form as a fragment of an Xplor-NIH structure calculation script. We review five examples of the use of scattering data in structure calculation, including the treatment of single domain proteins, nucleic acids, structure determination of large proteins, and the use of ensemble representations to characterize small and large amplitude motions. Graphical abstract
[NMR paper] The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology.
The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology.
The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology.
Protein Sci. 2014 Mar 29;
Authors: Hennig J, Sattler M
Abstract
Structural biology provides essential information for elucidating molecular mechanisms that underlie biological function. Advances in hardware, sample preparation, experimental methods and computational approaches now enable structural analysis of protein complexes with increasing complexity that more...
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04-02-2014 11:54 PM
The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology
The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology
Abstract
Structural biology provides essential information for elucidating molecular mechanisms that underlie biological function. Advances in hardware, sample preparation, experimental methods and computational approaches now enable structural analysis of protein complexes with increasing complexity that more closely represent biologically entities in the cellular environment. Integrated multi-disciplinary approaches are required to overcome limitations of individual methods and take advantage of...
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03-29-2014 01:00 PM
[NMR paper] Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.
Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.
Related Articles Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.
Structure. 2013 Dec 18;
Authors: Schwalbe M, Ozenne V, Bibow S, Jaremko M, Jaremko L, Gajda M, Jensen MR, Biernat J, Becker S, Mandelkow E, Zweckstetter M, Blackledge M
Abstract
The development of molecular descriptions of intrinsically...
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12-24-2013 01:04 PM
[NMR paper] Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex.
Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex.
Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex.
J Biomol NMR. 2013 Mar 3;
Authors: Hennig J, Wang I, Sonntag M, Gabel F, Sattler M
Abstract
Many processes in the regulation of gene expression and signaling involve the formation of protein complexes involving multi-domain proteins. Individual domains that mediate protein-protein and protein-nucleic...
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03-05-2013 03:25 PM
Small Angle X-Ray Scattering and the Determination of Protein Shape - Azom.com
Small Angle X-Ray Scattering and the Determination of Protein Shape - Azom.com
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Small Angle X-Ray Scattering and the Determination of Protein Shape
Azom.com
The low resolution 3D structure obtained by ab-initio methods is an important additional data to the high resolution structures obtained by protein crystallography and NMR. This article discusses the application of SAXSess mc system from Anton Paar to ...
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02-20-2013 06:24 PM
NMR and Small Angle Scattering-based structural analysis of protein complexes in solu
NMR and Small Angle Scattering-based structural analysis of protein complexes in solution.
Related Articles NMR and Small Angle Scattering-based structural analysis of protein complexes in solution.
J Struct Biol. 2010 Nov 10;
Authors: Madl T, Gabel F, Sattler M
Structural analysis of multi-domain protein complexes is a key challenge in current biology and a prerequisite for understanding the molecular basis of essential cellular processes. The use of solution techniques is important for characterizing the quaternary arrangements and dynamics of...
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11-16-2010 04:13 PM
A structure refinement protocol combining NMR residual dipolar couplings and small angle scattering restraints
A structure refinement protocol combining NMR residual dipolar couplings and small angle scattering restraints
F. Gabel, B. Simon, M. Nilges, M. Petoukhov, D. Svergun and M. Sattler
Journal of Biomolecular NMR; 2008; 41(4); pp 199-208
Abstract:
We present the implementation of a target function based on Small Angle Scattering data (Gabel et al. Eur Biophys J 35(4):313–327, 2006) into the Crystallography and NMR Systems (CNS) and demonstrate its utility in NMR structure calculations by simultaneous application of small angle scattering (SAS) and residual dipolar coupling (RDC)...
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09-21-2008 11:30 PM
Multidomain Protein Structures from NMR & Solution Small-Angle X-ray Scattering
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Refinement of Multidomain Protein Structures by Combination of Solution Small-Angle X-ray Scattering and NMR Data
Alexander Grishaev,* Justin Wu, Jill Trewhella, and Ad Bax*
Contribution from the Laboratory of Chemical Physics, NIDDK, National Institutes of Health, Bethesda, Maryland 20892-0520, Department of Biochemistry, The Ohio State University, Columbus, Ohio 43210, and Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850
J. Am. Chem. Soc.; 2005; 127(47) pp 16621 -...