First Lanthanide Complex for de Novo Phasing in Native Protein Crystallography at 1 Å Radiation



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Prieto Castañeda, Alejandro and Martínez Caballero, Siseth and Rodríguez Agarrabeitia, Antonia and García Moreno, Inmaculada and Moya Cerero, Santiago de la and Ortíz García, María Josefa and Hermoso, Juan A. (2021) First Lanthanide Complex for de Novo Phasing in Native Protein Crystallography at 1 Å Radiation. ACS Applied Bio Materials, 4 (5). pp. 4575-4581. ISSN 2576-6422

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Phasing agents enabling de novo protein structure determination at ca. 1 Å, the wavelength corresponding to the maximum intensity of the synchrotron facilities applied in biomacromolecular crystallography, have been long sought-after. The first phasing agent designed for solving native protein structures at 0.97934 Å is described herein. The agent consists of a neutral ytterbium(III)-caged complex that exhibits higher anomalous signals at shorter wavelengths when compared to the best, currently applied lanthanide-based phasing agents, all of them based on gadolinium or terbium. As a proof of principle, the complex allows determining the 3D structure of a 36 kDa protein without setting the incident beam wavelength at the metal absorption edge, the strategy followed to date to gain the strongest anomalous signal even at the expense of crystallographic resolution. The agent becomes nondisruptive to the diffraction quality of the marked crystals and allows determining accurate phases, both leading to high-quality electron-density maps that enable the full tracing of the protein structure only with one agent unit bound to the protein. The high phasing power, efficient binding to the protein, low metal−macromolecule ratio, and easy handling support the developed Yb(III) complex as the best phasing agent for X-ray crystallography of a complex biomacromolecule without using modified analogues.

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CRUE-CSIC (Acuerdos Transformativos 2021)

Received: March 12, 2021 / Accepted: April 16, 2021 / Published: April 29, 2021.
© 2021 American Chemical Society.

Uncontrolled Keywords:Lanthanide(III)-caged complex; X-ray crystallography; Protein crystallography; SAD phasing; Metals
Subjects:Sciences > Chemistry > Analytic chemistry
Sciences > Chemistry > Chemistry, Inorganic
Sciences > Chemistry > Chemistry, Organic
ID Code:67721
Deposited On:09 Sep 2021 15:01
Last Modified:22 Feb 2022 10:52

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