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X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements

DOI: 10.1107/S1600576717004757 DOI Help

Authors: Sergio L. Morelhao (Universidade de São Paulo) , Claudio M. R. Remedios (Universidade Federal do Pará) , Guilherme A. Calligaris (Institute of Physics Gleb Wataghin, University of Campinas) , Gareth Nisbet (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Applied Crystallography , VOL 50

State: Published (Approved)
Published: June 2017
Diamond Proposal Number(s): 11922

Open Access Open Access

Abstract: In this work, experimental and data analysis procedures were developed and applied for studying amino acid crystals by means of X-ray phase measurements. The results clearly demonstrated the sensitivity of invariant triplet phases to electronic charge distribution in D-alanine crystals, providing useful information for molecular dynamics studies of intermolecular forces. The feasibility of using phase measurements to investigate radiation damage mechanisms is also discussed on experimental and theoretical grounds.

Journal Keywords: invariant triplet phases; multiple diffraction; D-alanine crystals; zwitterions; synchrotron X-ray diffraction

Subject Areas: Physics, Technique Development

Instruments: I16-Materials and Magnetism

Other Facilities: Brazilian Synchrotron Light Source


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