Thanks to everyone for the quick replies! I’ll start by fitting PEG and let
you know how it goes.

Best wishes,
Chris


On Mon, 3 Feb 2025 at 18:22 Boaz Shaanan <bshaa...@bgu.ac.il> wrote:

> So it does to me too. There are a few PEG variants in the monomer library,
> have you tried them? Most PEGs, if not all, are mixtures in terms of chain
> length.
>
> Boaz Shaanan, Ph.D.
> Dept. of Life Sciences
> Ben Gurion University
> Beer Sheva, Israel
>
> On Feb 3, 2025 19:12, Dale Tronrud <de...@daletronrud.com> wrote:
>     Looks like a pretty good PEG fragment to me.
>
> Dale Tronrud
>
> On 2/3/2025 8:42 AM, Chris Fage wrote:
> > Dear All,
> >
> > Our ~2.3 Å crystal structure contains a tube of electron density for an
> > unknown ligand, into which we've built a network of water molecules (see
> > attached images with 2Fo-Fc map contoured at 1.5 sigma). We'd be
> > grateful for any help in identifying that ligand. The
> > purification buffer contains HEPES and NaCl, the crystallization
> > solution consists of PEG 4000 and MES, and glycerol was used as the
> > cryoprotectant. None of those fit the density. Aside from the Ser side
> > chain and backbone O atom, which are within H-bonding distance of the
> > individual water molecule, most of the nearby protein atoms are C or H.
> > Could the density represent an ordered fragment of a PEG chain? Any
> ideas?!
> >
> > Thanks, and best wishes,
> > Chris
> >
> > waters_1.5sigma_a.pngwaters_1.5sigma_b.png
> >
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