Hi Vipul,

The first thing to do is to check whether the fit of the offending residues in 
the electron density maps is correct. If it is not, you have to do rebuilding. 
If the fit is correct, I would leave them as they are. Assuming the 
distribution of bond lengths and angles has a bell-shape, there will always be 
some residues at the extreme ends.

Best, Herman

Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Vipul 
Panchal
Gesendet: Mittwoch, 17. Mai 2017 14:34
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] Bond length and angle outlier fixing

HI all.

I am solving protein structure with 2.16A resolution. There are two chain in an 
asymmetric unit.
While submitted to PDB validation server, i could see few ligand bond -length 
and -angle outlier. Coot doesn't have any module that can help me with these as 
per my best understanding.
Kindly find the image of relevant details attached herewith.

Can somebody suggest me how to fix them?

Sincerely,
--
Vipul Panchal
Senior Research Fellow,
Respiratory disease and biology,
CSIR-IGIB
(M)-9540113372

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