Contour the 2Fo-Fc map at lower sigma than 1.3, and see if the resulting 
density looks like MES. As others have said, if there is no specific pocket or 
interactions for the non-sulfonic acid head group, then I would expect that 
density to be weaker or smeared out due to positional disorder.

Diana

**************************************************
Diana R. Tomchick
Professor
Departments of Biophysics and Biochemistry
UT Southwestern Medical Center
5323 Harry Hines Blvd.
Rm. ND10.214A
Dallas, TX 75390-8816
diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu>
(214) 645-6383 (phone)
(214) 645-6353 (fax)




On Mar 13, 2022, at 9:19 AM, Amir Khan 
<k...@crystal.harvard.edu<mailto:k...@crystal.harvard.edu>> wrote:


EXTERNAL MAIL

Hi,<tadpole.png>

I wonder whether anyone can advise on the ‘tadpole’ like density. The head is 
currently a phosphate
and I’ve placed a water in tail, but it obviously looks connected… would 
appreciate any help!

Green density at 5 sigma (Fo-fc), while blue is 2fo-fc at 1.3 sigma.

Crystallization condition is unknown, though it came from sparse matrix 
commercial (either Wizard, Pact Prem, or JCSG+).

Thanks!

Amir

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