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Figure 8
Interpreting `water' peaks. (a) When they clash with nonpolar atoms then they are likely to be the next atoms in an unmodeled alternate (b), as shown for Asp9 in PDB entry 1eb6. (c) Do not let a `water' push a side-chain atom out of its density, as happened for Ile195 in PDB entry 3js8. (d) A good water peak should show density separated from other atoms, with at least one polar interaction at good hydrogen-bond distance; here, HOH 543 in PDB entry 3js8 makes two good hydrogen bonds. Contours are at 1.2σ.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 74| Part 2| February 2018| Pages 132-142
https://doi.org/10.1107/S2059798317009834
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