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Reconstruction of low-resolution three-dimensional density maps from one-dimensional small-angle X-ray solution scattering data for biomolecules
Abstract
A Monte Carlo type reconstruction algorithm (Saxs3D) to yield low-resolution three-dimensional structures from one-dimensional small-angle X-ray scattering data (SAXS) is presented. It is demonstrated that Saxs3D reliably reproduces the shape of several test protein structures, with their respective SAXS profiles calculated theoretically from their known high-resolution atomic coordinate sets. A reconstruction for experimentally obtained scattering data for GroEL, a molecular chaperone, correctly reproduced the gross structural features of GroEL. Compared to other reconstruction methods described in the literature,Saxs3D has the advantage of allowing for any topology of the target structure, does not require any prior estimation of its dimensions, is fast and conceptually very simple.
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Citations
Cited by
DAMMIF , a program for rapid ab-initio shape determination in small-angle scattering
Franke, D., & Svergun, D. I. (2009) · Journal of Applied Crystallography · doi:10.1107/s0021889809000338 · Cited by 2,021
Automated matching of high- and low-resolution structural models
Kozin, M. B., & Svergun, D. I. (2001) · Journal of Applied Crystallography · doi:10.1107/s0021889800014126 · Cited by 1,302
Putnam, C. D., Hammel, M., Hura, G. L., & Tainer, J. A. (2007) · Quarterly Reviews of Biophysics · doi:10.1017/s0033583507004635 · Cited by 1,184
Small-angle scattering studies of biological macromolecules in solution
Svergun, D. I., & Koch, M. H. J. (2003) · Reports on Progress in Physics · doi:10.1088/0034-4885/66/10/r05 · Cited by 1,014
Structural characterization of proteins and complexes using small-angle X-ray solution scattering
Mertens, H. D. T., & Svergun, D. I. (2010) · Journal of Structural Biology · doi:10.1016/j.jsb.2010.06.012 · Cited by 567
Metadata
- Authors
- Walther, D., Cohen, F. E., & Doniach, S.
- Venue
- Journal of Applied Crystallography
- Published
- 2000-04-01
- Volume
- 33
- Issue
- 2
- Pages
- 350-363
- ISSN
- 0021-8898 (ISSN-L)
- OpenAlex
- W1985447198
- Cited by
- 167
- References
- 0
- FWCI
- 7.65
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Reconstruction of low-resolution three-dimensional density maps from one-dimensional small-angle X-ray solution scattering data for biomolecules. https://app.cochat.ai/papers/10.1107/s0021889899015976
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- Walther, D., Cohen, F. E., & Doniach, S. (2000). Reconstruction of low-resolution three-dimensional density maps from one-dimensional small-angle X-ray solution scattering data for biomolecules. Journal of Applied Crystallography. https://doi.org/10.1107/s0021889899015976
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