[ccp4bb] an over refined structure

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CCP4bb <-- 2008 <-- February 2008 <-- 04 February 2008

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Subject: Re: Still cannot read .mtz + another ?
From: Miguel_Ortiz-Lombardía ibdeno {- at -} GMAIL {- dot -} COM
Date: 2008-02-04

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Subject: Re: 3D Glasses - Vuzix HMD by eDimensional
From: "Pedro M {- dot -} Matias" matias {- at -} ITQB {- dot -} UNL {- dot -} PT
Date: 2008-02-04

Subject: an over refined structure
From: Sun Tang suntang2222 {- at -} YAHOO {- dot -} COM
Date: 2008-02-04

Hello All,

I refined a structure with Refmac in CCP4i and the R/Rfree is 0.215/0.277. The difference between R and Rfree is too much even though I used 0.01 for weighting term in the refinement (the default value is 0.3). The RMSD for bond length and bond angle is 0.016 A and 1.7 degree.

What may be wrong with the over-refined structure? What is the reason for leading to an over-refined structure? How to avoid it?

Best wishes,

Sun Tang

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CCP4bb navigation

CCP4bb <-- 2008 <-- February 2008 <-- 04 February 2008

Previous message:
Subject: Re: Still cannot read .mtz + another ?
From: Miguel_Ortiz-Lombardía ibdeno {- at -} GMAIL {- dot -} COM
Date: 2008-02-04

Next message:
Subject: Re: 3D Glasses - Vuzix HMD by eDimensional
From: "Pedro M {- dot -} Matias" matias {- at -} ITQB {- dot -} UNL {- dot -} PT
Date: 2008-02-04