Figure 6
Bulk-solvent contribution analysis for 1fm4
and 3k78
. The left panels depict the expected, nearly textbook-like behavior of a normal crystal structure like 1fm4
. The top row shows the resolution-dependent behavior of Rfree when the bulk-solvent correction is included (solid lines) and when it is not included (dashed lines) in the R-value calculation. 1fm4
shows the expected increase of low the resolution R values in the absence of bulk-solvent correction, indicating that bulk-solvent scattering contributions are present in the observed data. Such is not the case for 3k78
. Bottom row: the presence of bulk-solvent contributions also causes the low-resolution calculated structure factors (dashed line) to be higher that the observed ones (solid), which are appropriately attenuated by the disordered bulk scattering contributions in 1fm4
. There is no difference between F(obs) and F(calc) for 3k78
, again indicating the absence of bulk-solvent scattering in the structure-factor data. |