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[ccp4bb] [Fwd: [ccp4]: iso - anisotropic B factor refinement on Refmac5]

 

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From: Ronan Keegan r {- dot -} m {- dot -} keegan {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-12-06
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Subject: Re: [Fwd: [ccp4]: iso - anisotropic B factor refinement on Refmac5]
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-12-06


Subject: [Fwd: [ccp4]: iso - anisotropic B factor refinement on Refmac5]
From: Ronan Keegan r {- dot -} m {- dot -} keegan {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-12-06

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Date: Thu, 06 Dec 2007 17:58:51 +1300
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Hi,

I had a very curious result when doing a round of isotropic B factor
refinement on Refmac5.

After iso B my R is 19.2 and Rf 24.3. My resolution is 1.95, what does
not justify anisotropic b-factor refinement. However I did it by mistake
and it dropped my R to 17.8 and Rf to 23.5. More curiously, I next did a
B iso refinement round and my R dropped to 16.1 and Rf to 21.8!
Would you have any insights why my second round of iso B refinement
dropped my Rs considerably after the aniso B refinement?

Thank you very much,

Rafael.





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