The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase

Dym, O.; Aggarwal, N.; Ashani, Y.; Leader, H.; Albeck, S.; Unger, T.; Hamer-Rogotner, S.; Silman, I.; Tawfik, D.S.; Sussman, J.L.

doi:10.1107/S2059798323007672

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 7
Active-site region of A53_4. Acrylic acid (AA; blue sticks) is clearly seen bound at the active site. The green electron density corresponds to an omit map with AA and the two Zn²⁺ ions omitted (contoured at 3σ). The black electron density corresponds to a 2F_o − F_c map (contoured at 1σ). The two Zn²⁺ ions are shown as magenta spheres.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 79| Part 11| November 2023| Pages 992-1009

https://doi.org/10.1107/S2059798323007672

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