Saturday 26 November 2011

how to use refine ligand containing heavry atom

From: Zhipu Luo
Date: 6 November 2011 17:04


Dear all

I have a protein soaked in a coordination compound containing platinum. Due to some reason, I do not get the anomalous data at 1.072 angstrom, only got a set of data at 0.973 angstrom. I have solved the phase through molecular replacement, and refined the model to  Rfactor=0.2204, Rfree=0.2447 before modeling the coordination compound. However, the Rfactor rised to 0.3345 and Rfree rised to 0.3425 after refining the model with coordination compound. how to deal with this problem? Hoping for help!


thank you for your time
Zhipu
fuzhou
China

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From: Eleanor Dodson


Something must be wrong..

If you are using REFMAC it will give you a list of bad contacts etc in the log file..

Check those and try to correct them..
Eleanor


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