Could be 5 water molecules. Pentagons of water molecules are common in high 
resolution structures. Add 5 waters and see if the inter-water distances are 
appropriate for hydrogen bonding  (2.5-3.2 A).

From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Sam Tang 
<samtys0...@gmail.com>
Date: Monday, March 22, 2021 at 9:00 AM
To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK>
Subject: [ccp4bb] unknown density
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Hello fellow colleagues

Hope you are all well while the pandemics persists. I just wonder if anyone may 
have an idea what this density (looking like a pentagon) might be. The data was 
collected to 1.8 A and crystal was grown in Bis-tris + PEG3350. Imidazole 
residual? Nucleotide (the protein itself is nucleotide-binding, but shouldn't 
be at this particular site)?

https://drive.google.com/file/d/1L9UBFmW72P214itM2HJR_DVy3FaA6FEZ/view?usp=sharing<https://nam02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fdrive.google.com%2Ffile%2Fd%2F1L9UBFmW72P214itM2HJR_DVy3FaA6FEZ%2Fview%3Fusp%3Dsharing&data=04%7C01%7C%7Ca3b0c198e3e14bd9405408d8ed3acf6a%7Ce3fefdbef7e9401ba51a355e01b05a89%7C0%7C0%7C637520184290892971%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=2kZEUkgOzddNoFf57Rb0ZBj8CwmamIuYxqoo1BWrVMM%3D&reserved=0>

Thanks!

BRS

Sam

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