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 9
Electron-density omit map of the active-site region of C23M_1. The two Zn²⁺ ions and the electron density of an unidentified six-membered ring ligand, labeled X3T, were omitted in calculating the electron densities. The 2F_o − F_c omit map, contoured at 1σ, is shown in black. The F_o − F_c omit map, contoured at 3σ, is shown in green. 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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