9P6R

Structure of lysozyme-N,N',N"-triacetylchitotriose complex determined using REyes for automated MicroED

Summary for 9P6R

• Entry DOI: 10.2210/pdb9p6r/pdb
• Descriptor: Lysozyme C, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... (5 entities in total)
• Functional Keywords: ligand, complex, microed, hydrolase
• Biological source: Gallus gallus (chicken)
• Total number of polymer chains: 1
• Total formula weight: 15017.20

Authors

Eremin, D.,Vlahakis, N.W.,Rodriguez, J.A.,Nelson, H.M. (deposition date: 2025-06-19, release date: 2025-12-10)

Primary citation

Eremin, D.B.,Jha, K.K.,Delgadillo, D.A.,Zhang, H.,Foxman, S.H.,Johnson, S.N.,Vlahakis, N.W.,Cascio, D.,Lavallo, V.,Rodriguez, J.A.,Nelson, H.M.
Spatially Aware Diffraction Mapping Enables Fully Autonomous MicroED.
J.Am.Chem.Soc., 147:42299-42310, 2025

PubMed Abstract: In the hands of experts, microcrystal electron diffraction (microED, a 3D ED method) is a powerful tool for structural chemistry and chemical discovery. To expand the accessibility and utility of microED, we introduce Reciprocal Eyes (REyes), an autonomous and intelligent platform (available for academic use) that combines diffraction-based particle selection with real-time data processing to deliver crystal structures without human intervention. REyes spatially maps diffraction signal and autonomously selects crystallites of interest, relying on lattice-quality metrics to acquire and index high-resolution data sets from diverse compounds. Tested on four different transmission electron microscopes (TEMs), it consistently yields preliminary structural solutions from single crystallites of materials, peptides, metal complexes, natural products (NPs), and proteins.

PubMed: 41211926
DOI: 10.1021/jacs.5c10751

Experimental method

ELECTRON CRYSTALLOGRAPHY (2.2 Å)