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. 1991 Dec;60(6):1366–1373. doi: 10.1016/S0006-3495(91)82174-9

Direct determination of crystallographic phases for diffraction data from lipid bilayers. II. Refinement of phospholipid structures.

D L Dorset 1
PMCID: PMC1260197  PMID: 1777564

Abstract

Using a systematic approach for the acceptance of crystallographic phase assignment, based on the evaluation of triplet structure invariants, electron and x-ray diffraction data from phospholipid multilamellar arrays are analyzed by direct methods. After calculation of Fourier maps with a partial set of phased structure factor magnitudes, the structure is refined in real space by flattening of the hydrocarbon region of the bilayer and an optimal solution is sought either by the calculation of [delta rho 4] suggested by Luzzati, where rho is the structure density or by a test of density smoothness [magnitude of delta rho/ delta r magnitude of], where r positions are located along the normal to the lamellar surface. Reanalyses of previously determined structures sometimes lead to new conclusions (e.g., a possible similarity of the electron density profile for DL-DMPE and L-DMPE, and a clear indication of the fatty acid adduct in the mixed L-DPPC/palmitic acid bilayer). Because of presumed secondary scattering perturbations (primarily to the least intense reflections), the refinements of the electron diffraction intensities are less easily evaluated than those carried out with x-ray diffraction data.

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Selected References

These references are in PubMed. This may not be the complete list of references from this article.

  1. Dorset D. L., Beckmann E., Zemlin F. Direct determination of phospholipid lamellar structure at 0.34-nm resolution. Proc Natl Acad Sci U S A. 1990 Oct;87(19):7570–7573. doi: 10.1073/pnas.87.19.7570. [DOI] [PMC free article] [PubMed] [Google Scholar]
  2. Dorset D. L. Direct determination of crystallographic phases for diffraction data from phospholipid multilamellar arrays. Biophys J. 1990 Nov;58(5):1077–1087. doi: 10.1016/S0006-3495(90)82450-4. [DOI] [PMC free article] [PubMed] [Google Scholar]
  3. Dorset D. L. Molecular packing of a crystalline ether-linked phosphatidylcholine: an electron diffraction study. Biochim Biophys Acta. 1987 Apr 9;898(2):121–128. doi: 10.1016/0005-2736(87)90030-7. [DOI] [PubMed] [Google Scholar]
  4. Dorset D. L., Zhang W. P. Lamellar packing of a chiral N,N-dimethylphosphatidylethanolamine: electron diffraction. Evidence for a lecithin-type headgroup conformation. Biochim Biophys Acta. 1990 Oct 19;1028(3):299–303. doi: 10.1016/0005-2736(90)90179-r. [DOI] [PubMed] [Google Scholar]
  5. Hitchcock P. B., Mason R., Shipley G. G. Phospholipid arrangements in multilayers and artificial membranes: quantitative analysis of the X-ray diffraction data from a multilayer of 1,2-dimyristoyl-DL-phosphatidylethanolamine. J Mol Biol. 1975 May 15;94(2):297–299. doi: 10.1016/0022-2836(75)90084-4. [DOI] [PubMed] [Google Scholar]
  6. Hitchcock P. B., Mason R., Thomas K. M., Shipley G. G. Structural chemistry of 1,2 dilauroyl-DL-phosphatidylethanolamine: molecular conformation and intermolecular packing of phospholipids. Proc Natl Acad Sci U S A. 1974 Aug;71(8):3036–3040. doi: 10.1073/pnas.71.8.3036. [DOI] [PMC free article] [PubMed] [Google Scholar]
  7. Katsaras J., Stinson R. H. High-resolution electron density profiles reveal influence of fatty acids on bilayer structure. Biophys J. 1990 Mar;57(3):649–655. doi: 10.1016/S0006-3495(90)82583-2. [DOI] [PMC free article] [PubMed] [Google Scholar]
  8. Khare R. S., Worthington C. R. The structure of oriented sphingomyelin bilayers. Biochim Biophys Acta. 1978 Dec 19;514(2):239–254. doi: 10.1016/0005-2736(78)90295-x. [DOI] [PubMed] [Google Scholar]
  9. Lesslauer W., Slotboom A. J., de Haas G. H. The interaction of phospholipase A with lipids. I. Structure of the bimolecular leaflet of a lecithin analogue substance, 1-oleoyl-2-n-hexadecyl-2-deoxy-glycero-3-phosphorylcholine. Chem Phys Lipids. 1973 Oct;11(3):181–195. doi: 10.1016/0009-3084(73)90018-2. [DOI] [PubMed] [Google Scholar]
  10. Luzzati V., Tardieu A., Taupin D. A pattern-recognition approach to the phase problem: application to the X-ray diffraction study of biological membranes and model systems. J Mol Biol. 1972 Feb 28;64(1):269–286. doi: 10.1016/0022-2836(72)90335-x. [DOI] [PubMed] [Google Scholar]
  11. Nagle J. F., Wiener M. C. Relations for lipid bilayers. Connection of electron density profiles to other structural quantities. Biophys J. 1989 Feb;55(2):309–313. doi: 10.1016/S0006-3495(89)82806-1. [DOI] [PMC free article] [PubMed] [Google Scholar]
  12. Pascher I., Sundell S., Harlos K., Eibl H. Conformation and packing properties of membrane lipids: the crystal structure of sodium dimyristoylphosphatidylglycerol. Biochim Biophys Acta. 1987 Jan 9;896(1):77–88. doi: 10.1016/0005-2736(87)90358-0. [DOI] [PubMed] [Google Scholar]
  13. Torbet J., Wilkins M. H. X-ray diffraction studies of lecithin bilayers. J Theor Biol. 1976 Oct 21;62(2):447–458. doi: 10.1016/0022-5193(76)90129-6. [DOI] [PubMed] [Google Scholar]
  14. Worcester D. L., Franks N. P. Structural analysis of hydrated egg lecithin and cholesterol bilayers. II. Neutrol diffraction. J Mol Biol. 1976 Jan 25;100(3):359–378. doi: 10.1016/s0022-2836(76)80068-x. [DOI] [PubMed] [Google Scholar]
  15. Worthington C. R., King G. I., McIntosh T. J. Direct structure determination of multilayered membrane-type systems which contain fluid layers. Biophys J. 1973 May;13(5):480–494. doi: 10.1016/S0006-3495(73)86001-1. [DOI] [PMC free article] [PubMed] [Google Scholar]

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