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Title: Nanocrystallography measurements of early stage synthetic malaria pigment

The recent availability of extremely intense, femtosecond X-ray free-electron laser (XFEL) sources has spurred the development of serial femtosecond nanocrystallography (SFX). Here, SFX is used to analyze nanoscale crystals of β-hematin, the synthetic form of hemozoin which is a waste by-product of the malaria parasite. This analysis reveals significant differences in β-hematin data collected during SFX and synchrotron crystallography experiments. To interpret these differences two possibilities are considered: structural differences between the nanocrystal and larger crystalline forms of β-hematin, and radiation damage. Simulation studies show that structural inhomogeneity appears at present to provide a better fit to the experimental data. If confirmed, these observations will have implications for designing compounds that inhibit hemozoin formation and suggest that, for some systems at least, additional information may be gained by comparing structures obtained from nanocrystals and macroscopic crystals of the same molecule.
Authors:
 [1] ;  [2] ; ORCiD logo [3] ;  [1] ;  [1] ;  [4] ;  [4] ; ORCiD logo [5] ; ORCiD logo [6] ;  [7] ;  [1] ;  [8] ; ORCiD logo [9] ;  [4] ; ORCiD logo [9]
  1. Univ. of Melbourne (Australia). ARC Centre of Excellenece in Advanced Molecular Imaging
  2. Commonwealth Scientific and Industrial Research Organization (CSIRO), Parkville VIC (Australia)
  3. La Trobe Univ., Melbourne, VIC (Australia). ARC Centre of Excellence in Advanced Molecular Imaging, La Trobe Inst. of Medical Research; Walter and Eliza Hall Inst. of Medical Research, Parkville, VIC (Australia); Commonwealth Scientific and Industrial Research Organization (CSIRO) Manufacturing Flagship, Parkville VIC (Australia)
  4. Univ. of Melbourne (Australia). Dept. of Biochemistry and Molecular Biology, Molecular Science and Biotechnology Inst.
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source
  6. BioXFEL STC Buffalo, NY (United States)
  7. Brookhaven National Lab. (BNL), Upton, NY (United States)
  8. Commonwealth Scientific and Industrial Research Organization (CSIRO), Parkville VIC (Australia); La Trobe Univ., Melbourne, VIC (Australia). ARC Centre of Excellence in Advanced Molecular Imaging, La Trobe Inst. of Medical Research
  9. La Trobe Univ., Melbourne, VIC (Australia). ARC Centre of Excellence in Advanced Molecular Imaging, La Trobe Inst. of Medical Research
Publication Date:
Grant/Contract Number:
AC02-76SF00515
Type:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 50; Journal Issue: 5; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Research Org:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
60 APPLIED LIFE SCIENCES; 59 BASIC BIOLOGICAL SCIENCES; crystalloraphy; serial femtosecond nanocrystallography; malaria; crystalline disorder; structural inhomogeniety
OSTI Identifier:
1407496