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Dear Dipankar,
 
Molrep Rfactors around 50% with a model with 100% identity means that
something went wrong and you did not find the solution. To find the
problem, I would proceed as follows:
1) check the processing of the data and the space group: Are the
statistics of the processing ok? Did you let the processing software
find the space group, or did you specify it? The true space group maybe
different from what you think. You may also process in P1 and let
pointless figure out the space group.
2) check that you used the correct search model. It maybe trivial but if
you mixed up pdb files, you will never find a solution.
3) run Molrep of Phaser with the option to test all possible spacegroups
for your crystal system. During processing it is not always possible to
reliable distuinguish e.g. between P212121, P21212, P2221 etc. The only
way to find out is to systematically try all possibilities. All
molecular replacement programs do have an option for this.
4) It may also be to you searched for too many or too few molecules. Do
separate searches for 1 to as many molecules as fit in the asymmetric
unit. It is not common but crystals exist with only 30% solvent or as
much as 70% solvent.
5) Finally, try to find an experienced crystallographer to help you.
Again, your problem is not with the refinement, but with the molecular
replacement.
 
Good luck!
Herma


________________________________

	From: CCP4 bulletin board [mailto:[log in to unmask]] On
Behalf Of Dipankar Manna
	Sent: Wednesday, March 14, 2012 10:26 AM
	To: [log in to unmask]
	Subject: [ccp4bb] How to reduce R factor
	
	

	Dear Crystallographers,

	 

	Can anybody guide me how to reduce R-factor, means which are the
basic parameters I have to look for to reduce the R-factor during
refinement. I am newly learning the refinement. After running molrep
R-factor is around 53% (100% identity), after rigid body refinement its
showing around 49% and after restrained refinement its showing around
47%. Highest resolution is 2.5A.

	 

	Regards

	 

	Dipankar


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