Hi,

proteins my pick up ligands from the „source" from which they were isolated…. 
Looks to me like trimethylglycine, an amino-acid derivative found in plants…

Regards,

Jeroen
__
https://orcid.org/0000-0001-8532-6699

Am 05.06.2024 um 17:44 schrieb Khadijah Ameen Khan 
<khadijahameenk...@gmail.com>:

Dear All,

I am a first-year PhD student in a structural biology lab. I am building a 
model in 1.5 ang X-ray diffraction data. I would appreciate your suggestions 
for fitting a ligand in an unknown X-ray density (attached image) in the 
protein binding pocket. The details for protein purification and 
crystallization buffers are below:

Purification: NaCl, Tris-HCl pH 8.5, Glycerol
Crystallization: Carboxylic acid mix (Sodium formate, Ammonium acetate, Sodium 
citrate, Potassium Sodium Tartrate and Sodium Oxamate),Tris, Bicine buffer, 
Precipitant (PEG3350, MPD)

I have tried fitting all the buffer and crystallization components but none of 
these components are giving the right solution (Either the difference map gets 
red with increased B-factor or it remains green).
I would really appreciate your input on this. I have attached an image showing 
the density.

Thank you.



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