Dynamical diffraction analysis for 3D electron crystallography

Ended Project Grant Awarded Last action

Award ID
R43GM148105
Recipient
Awarding agency
Obligated
$499,998

Award facts

Assistance listing
93.859 Biomedical Research and Research Training
Completion date
Originally
Place of performance
Dallas, TX 75206, USA

Award details come from USAspending.gov.

Description

Abstract
Diffraction methods generate detailed structural information for chemical compounds, driving discoveries in many fields across academia and industry. The standard approaches use either single crystals, which provide highly informative data, or powders of nanocrystals, which provide less information. Microcrystal electron diffraction (microed) has all the data richness benefits of single crystal crystallography and works with small crystals. However, the methods for microed data acquisition and analysis are not yet mature enough to provide results with quality and reliability comparable to x-RAY crystallography. The challenges include absolute configuration determination, efficient data collection, and diffraction data analysis in the presence of microed-specific experimental errors. In sbir phase i, we will develop, implement, and test methods that address handedness determination for small molecule crystals and combine them with effective approaches to greatly reduce systematic errors, to enable merging datasets from multiple crystals, experimental phasing and absolute configuration determination. In sbir phase II, we will expand and incorporate these solutions into an easy-to- use, complete crystallographic package for microed and also validate the approach in a broad range of experimental conditions, tailoring the solutions to characteristic problems. These new methods will benefit all types of microed analysis and result (1) in absolute configuration determination for all type of compounds, (2) expanded applicability to radiation-sensitive and other difficult-to- handle crystals, and (3) better agreement between the model and the data which will increase the trust in results, in particular for DE novo structure determination. These benefits are of high significance for this quickly expanding field, so the potential for successful commercialization is high.

Transactions

Action Obligated Date
Amendment $0
Amendment $249,999
Original award $249,999

Quick answers

Who received award R43GM148105?

R43GM148105 was awarded to Ligo Analytics Inc. by National Institute of General Medical Sciences (National Institutes of Health) on September 15, 2022.

How much is award R43GM148105 worth?

$499,998 has been obligated on R43GM148105.

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