I would try placing waters in the positive difference Fourier peaks (waters could make hydrogen bonds, if you follow the standard colour coding for the atoms), refine and see how the density looks like then.

Kadhirvel Saraboji wrote:
Hi all,

In one of my 1.6Ang resolution structure, I came across a strange density. I tried to model this with PEG but after refinement still peaks appear around PEG at ~1.45-1.7 Ang.

The images before and after PEG insertion is at: http://mole.mbfys.lu.se/~saraboji/peg_density.jpg
(Fo-Fc and 2Fo-Fc is at 3 and 1sigma)

I feel this to be a PEG modification, which I could not resolve. My crystallization condition contains PEG, Sodium acetate, and Zinc chloride. Does anyone have experience in resolving such a density?

Thanks in advance

With best regards
Saraboji



---------------------------------
Dr. SARABOJI KADHIRVEL
Post-Doctoral Researcher, Molecular Biophysics
Center for Molecular Protein Science, Kemicentrum,
Lund University, Box 124, SE-221 00 Lund, Sweden
Tel: +46-46-2221448 (off); +46-76-2374172 (mob),
Fax: +46-46-2224692; e-mail: sarabo...@yahoo.com


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