Powder crystallography on macromolecules.
TL;DR: Progress in using powder diffraction for macromolecular crystallography is reported and the rich information contained in these profiles has stimulated research and development to apply the powder technique to microcrystalline protein samples.
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Abstract: Following the seminal work of Von Dreele, powder X-ray diffraction studies on proteins are being established as a valuable complementary technique to single-crystal measurements. A wide range of small proteins have been found to give synchrotron powder diffraction profiles where the peak widths are essentially limited only by the instrumental resolution. The rich information contained in these profiles, combined with developments in data analysis, has stimulated research and development to apply the powder technique to microcrystalline protein samples. In the present work, progress in using powder diffraction for macromolecular crystallography is reported.
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Citations
Structure determination from powder diffraction data.
TL;DR: The use of complementary techniques such as NMR to assist structure solution is discussed and the potential for the combined use of X-ray and neutron diffraction data for structure verification is explored.
Structure determination from powder diffraction data
William I. F. David,Kenneth Shankland,Lynne B. McCusker,Christian Baerlocher +3 more
- 01 Jan 2006
TL;DR: In this article, a review of structure determination from powder diffraction data is presented, with particular emphasis on algorithmic developments and the successes and limitations of the technique, as well as the potential for the combined use of X-ray and Neutron Diffraction data for structure verification.
397
•Journal Article
The powder diffraction file: present and future
John Faber,Tim Fawcett +1 more
TL;DR: The International Centre for Diffraction Data (ICDD) produces the Powder Diffraction File (PDF) as discussed by the authors, which is the primary reference for powder diffraction, and has been used extensively in the literature.
101
X-ray Diffraction from Membrane Protein Nanocrystals
Mark S. Hunter,Daniel P. DePonte,Daniel P. DePonte,David A. Shapiro,David A. Shapiro,Richard A. Kirian,Xiaoyu Wang,D. Starodub,D. Starodub,Stefano Marchesini,Uwe Weierstall,R. B. Doak,John C. H. Spence,Petra Fromme +13 more
TL;DR: The results demonstrate that there are membrane protein crystals that contain < 100 unit cells (200 total molecules) and that 3D crystals of membrane proteins, which contain < 200 molecules, may be suitable for structural investigation.
80
Powder diffraction from a continuous microjet of submicrometer protein crystals.
David A. Shapiro,David A. Shapiro,Henry N. Chapman,Henry N. Chapman,Daniel P. DePonte,R. B. Doak,Petra Fromme,Gary G. Hembree,Mark S. Hunter,Stefano Marchesini,Stefano Marchesini,Kevin Schmidt,John C. H. Spence,D. Starodub,Uwe Weierstall +14 more
TL;DR: The first powder diffraction patterns from a membrane protein, photosystem I, with crystallite sizes of less than 500 nm are presented, and these preliminary patterns show the lowest-order reflections, which agree quantitatively with theoretical calculations of the powder profile.
References
A profile refinement method for nuclear and magnetic structures
TL;DR: In this paper, a structure refinement method was described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the powder diagram.
16.4K
MOLREP: an Automated Program for Molecular Replacement
Alexei A. Vagin,Alexei Teplyakov +1 more
TL;DR: MOLREP as mentioned in this paper is an automated program for molecular replacement which utilizes effective new approaches in data processing and rotational and translational searching, such as automatic choice of all parameters, scaling by Patterson origin peaks and soft resolution cut-off.
4.9K
Unit-cell refinement from powder diffraction scans
TL;DR: In this paper, a procedure for the refinement of the crystal unit cell from a powder diffraction scan is presented, and at the end of the refinement a list of indexed intensities is produced.
1.8K