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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
Author(s) -
Morelhão Sérgio L.,
Remédios Cláudio M. R.,
Calligaris Guilherme A.,
Nisbet Gareth
Publication year - 2017
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576717004757
Subject(s) - intermolecular force , diffraction , molecule , phase (matter) , resolution (logic) , x ray , crystallography , chemistry , chemical physics , x ray crystallography , materials science , optics , physics , organic chemistry , computer science , artificial intelligence
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.