Beyond the crystallization paradigm: Structure determination from diffraction patterns from ensembles of randomly oriented particles

We amplify on the principles of the method we have recently proposed for recovering an oversampled diffraction pattern of a single particle from measured diffraction patterns from multiple particles in orientations related by rotation about an axis parallel to the incident radiation. We propose an a...

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Bibliographic Details
Published in:Ultramicroscopy 2011-06, Vol.111 (7), p.798-806
Main Authors: Poon, H.C., Saldin, D.K.
Format: Article
Language:English
Subjects:
Algorithms
Ambiguity
Amplification
Angular correlation
Angular correlations
BASIC BIOLOGICAL SCIENCES
Correlation
Crystallization
Crystallization - methods
Diffraction patterns
Electrons
Fluctuation scattering
Image Processing, Computer-Assisted
Incident radiation
Orientation
Radiation Dosage
Structure determination
X-ray diffraction
X-Ray Diffraction - methods
X-Ray Diffraction Disordered Ensembles of Identical Particles
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Summary:We amplify on the principles of the method we have recently proposed for recovering an oversampled diffraction pattern of a single particle from measured diffraction patterns from multiple particles in orientations related by rotation about an axis parallel to the incident radiation. We propose an alternative method of phasing a reference resolution ring by means of a non-negativity constraint on the diffraction intensities, point out the need for caution about enantiomeric ambiguities in the reconstruction of a diffraction pattern from its angular correlations, and show that converged correlations may be deduced by appropriate averaging of even very noisy data. ►Reconstruction of a single particle diffraction pattern from that of mutiple randomly oriented identical particles. ►Reconstruction of projected electron density of single particle. ►Possible application to structure determination of membrane proteins in situ.
ISSN:0304-3991
1879-2723
DOI:10.1016/j.ultramic.2010.11.003