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Figure 1
Comparison of PDB protein structures without (yellow) and with (blue) water molecules determined at a resolution of 2.5 Å or higher. The solid lines represent the piecewise cubic regression (splines) fitted to the data; the shaded area represents the 95% confidence interval of the regression line. (a) The average ratio of the number of water molecules to the number of amino-acid residues for varying percentage solvent contents. (b) The average ratio of the number of water molecules to the number of amino-acid residues as a function of the resolution of the diffraction data. (c) Rmerge as a function of the resolution of the diffraction data. (d) Rfree as a function of the resolution of the diffraction data.

IUCrJ
Volume 11| Part 6| November 2024| Pages 966-976
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524009928