# Acquisition of a Single Crystal X-ray Diffraction System for Macromolecular and Small Molecule Crytsallography

> **NIH NIH S10** · BOSTON UNIVERSITY (CHARLES RIVER CAMPUS) · 2021 · $560,675

## Abstract

Abstract
This proposal requests funds for the acquisition of a X-ray diffraction system that will meet the
present and future on-site needs of a group of NIH-funded investigators located on the Charles
River and Medical Campuses of Boston University. The proposed instrument will replace an
eleven-year-old Bruker X8 Proteum-R diffractometer system which is reaching the end of its
service life (no parts/service plan available after June 2020). We propose to purchase and install
a new instrument featuring a reliable, low maintenance X-ray source and a state-of-the-art
detector. Bruker’s IµS DIAMOND Cu source runs at low power and is air-cooled, yet the X-ray
intensity surpasses the intensity of the existing rotating anode X-ray source. The proposed Photon
III M28 CPAD detector will provide greatly improved sensitivity for weakly-diffracting samples and
data collection at least five-fold faster via shutterless image acquisition capability. The new
instrument will perform better for protein screening and data collection for macromolecular and
small-molecule crystals. The vastly improved performance for small molecules based on faster
screening time to identify target specimens will enable greater productivity through better data
quality in terms of signal-to-noise, and enhanced speed of data collection. The fast data collection
time allows determination of the connectivity and relative stereochemistry of small molecules with
a speed rivaling that of NMR. The system will allow the determination of macromolecular
structures and complexes with ligands and improve data quality of small or weakly diffracting
crystals through use of the microfocus source and large-format detector, which allows for
enhanced spatial resolution of the diffracted rays. Data collection will be optimized by utilizing the
automated goniometer head to find the optimum crystal volume to expose, an impractical task
using the coarse manual goniometer wrenches on the typical goniometer. The ISX plate-handling
stage will allow in situ screening and data collection for mechanically sensitive crystals without
harvesting from crystallization plates, and allow automated plate screening, maximizing users'
work productivity for large screening jobs. These capabilities, which will afford improved
throughput and data collection for samples that were previously unusable, will greatly support and
enhance the NIH-funded projects of the five major and six minor users. The research topics
include intervention in protein-protein interactions in immunodeficiencies; defining bacterial
biosynthetic pathways; accelerating general anesthetic discovery; muscle regulation; redox
regulation; natural products as therapeutics; synthesis of tunable organic semiconductors, and
synthetic polysaccharides for drug delivery and to restore the properties of osteoarthritic cartilage.

## Key facts

- **NIH application ID:** 10177052
- **Project number:** 1S10OD028585-01A1
- **Recipient organization:** BOSTON UNIVERSITY (CHARLES RIVER CAMPUS)
- **Principal Investigator:** Karen N. Allen
- **Activity code:** S10 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2021
- **Award amount:** $560,675
- **Award type:** 1
- **Project period:** 2021-06-01 → 2022-05-31

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10177052

## Citation

> US National Institutes of Health, RePORTER application 10177052, Acquisition of a Single Crystal X-ray Diffraction System for Macromolecular and Small Molecule Crytsallography (1S10OD028585-01A1). Retrieved via AI Analytics 2026-05-23 from https://api.ai-analytics.org/grant/nih/10177052. Licensed CC0.

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