Of problems and opportunities—How to treat and how to not treat crystallographic fragment screening data

• In their recent commentary in Protein Science, Jaskolski et al. analyzed three randomly picked diffraction data sets from fragment-screening group depositions from the PDB and, based on that, they claimed that such data are principally problematic. We demonstrate here that if such data are treated properly, none of the proclaimed criticisms persist.

Subject headings

NATURVETENSKAP  -- Biologi (hsv//swe)

NATURAL SCIENCES  -- Biological Sciences (hsv//eng)

Keyword

compositional heterogeneity

conformational heterogeneity

fragment-screening

group depositions

low-occupancy ligands

PanDDA

Publication and Content Type

art (subject category)

ref (subject category)