[ccp4bb] Problem in refinement with ligand

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: "Y {- dot -} -F {- dot -} Li" yongfuli {- at -} GMAIL {- dot -} COM
Date: 2007-06-11

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Date: 2007-06-12

Subject: Problem in refinement with ligand
From: Sampath Natarajan nsampath76 {- at -} YAHOO {- dot -} COM
Date: 2007-06-11

Dear all,

I am new to the CCP4 program for structure determination.
Now I am trying to solve a complex structure with 2.5A resolution.
I refined the structure with Refmac5 and built the model also using coot.
Now I'm trying to insert the ligand molecule into the active site
of electron density. But after refinement the entire ligand molecule
is coming out from the electron density. If any one knows what the
problem is and how to rectify this, it would be great. It would be
helpful to finish my structure refinement.

Thanks in advance.

Regards,

Sampath

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: major modeling softwares
From: "Y {- dot -} -F {- dot -} Li" yongfuli {- at -} GMAIL {- dot -} COM
Date: 2007-06-11