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Figure 2
(a) The LigL structure (PDB code 4yai; Pereira et al., 2016BB29) was solved at 1.6 Å resolution with two molecules per asymmetric unit, which represents the biological dimer, showing Mg2+ was essential for the crystal lattice contacts. A twofold (C2) symmetry axis is shown with a solid oval symbol. (b) A 2mFo–DFc electron density map for the LigL structure contoured at 1.5σ is shown in blue around the Mg2+ ions, the water molecules, and the side chains of Glu73 and Glu77. The octahedral coordination of Mg2+ is water mediated by the negative surface residues Glu73 and Glu77, generating the major crystal contact between symmetry-related molecules. Water molecules are shown as red spheres.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 50| Part 5| October 2017| Pages 1352-1358
https://doi.org/10.1107/S1600576717011347
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