Year: 2020
Type: article
Abstract: The recent developments at microdiffraction X-ray beamlines are making microcrystals of macromolecules appealing subjects for routine structural analysis. Microcrystal diffraction data collected at synchrotron microdiffraction beamlines may be radiation damaged with incomplete data per microcrystal and with unit-cell variations. A multi-stage data assembly method has previously been designed for microcrystal synchrotron crystallography. Here the strategy has been implemented as a Python program for microcrystal data assembly (PyMDA). PyMDA optimizes microcrystal data quality including weak anomalous signals through iterative crystal and frame rejections. Beyond microcrystals, PyMDA may be applicable for assembling data sets from larger crystals for improved data quality.
Authors: Lina Takemaru, Gongrui Guo, Ping Zhu, Wayne A. Hendrickson, Sean McSweeney, Qun Liu
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,400
Funders: Foundation for the National Institutes of Health, U.S. Department of Energy, National Institutes of Health, Office of Science, National Institute of General Medical Sciences, Workforce Development for Teachers and Scientists, Laboratory Directed Research and Development, Brookhaven National Laboratory
OpenAlex ID: W2999503140