On Feb 13, 2014, at 4:53 PM, Sun Bingfa <sunbin...@gmail.com> wrote:

> Now we have dataset to ~4.2 Angstrom and using extracellular homolog 
> structure we can find a solution for this part(~45% of the whole molecule MW) 
> through molecular replacement, and the molecules are packed as layers, and 
> the other part are presumably between these layers. However, we are having 
> trouble to fit the rest of the protein even though there're some density 
> between the solved part. 

You have an incomplete MR problem.

> Rfree is at 40% now. 
> 


This is fairly typical.

> We're trying to do heavy atom soaking, such as TaBr. We collected data for 
> MIR but it's not helping so far.

This is also fairly typical.

> (Can I combine these MIR data with the native dataset because the MIR set is 
> only at ~6.5 Angstrom)? 
> 

Yes, but you need to be careful in how you do this.  The bad news is that 
jumping from 6.5 -> 4A is not trivial. 

The good news is that it can be done. 

See for example,
http://www.nature.com/nature/journal/v492/n7427/full/nature11607.html

Cheers,

F

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Francis E. Reyes PhD
215 UCB
University of Colorado at Boulder

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