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-Mensagem original-
De: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Em nome de Kay Diederichs
Enviada em: terça-feira, 6 de dezembro de 2016 14:06
Para: CCP4BB@JISCMAIL.AC.UK
Assunto: Re: [ccp4bb] Choosing test set for twin refinement, with multiple
operators
Hi Andre,
you should
Hi Andre,
you should first optimize your data processing as much as possible ... try
different programs, and do test refinements against the data they give you.
Unfortunately Rwork/Rfree is a poor indicator unless the Wilson B is the same;
what is much more robust is the correlation
gt;> Ang) and the electron density is bias.
>>
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>> JPK
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>>
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>> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of
>> *Andre Luis Berteli Ambrosio
>> *Sent:* Tuesday, December 06, 2016 9:17 AM
>
as.
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>
>
> JPK
>
>
>
> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of
> *Andre
> Luis Berteli Ambrosio
> *Sent:* Tuesday, December 06, 2016 9:17 AM
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* [ccp4bb] Choosing test set for twin refineme
: Tuesday, December 06, 2016 9:17 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Choosing test set for twin refinement, with multiple operators
Dear all,
We are currently refining a low resolution model (3.9 A max), obtained by MR.
Dataset was collected from a single crystal with one long cell axis
Dear all,
We are currently refining a low resolution model (3.9 A max), obtained by MR.
Dataset was collected from a single crystal with one long cell axis (~620 A)
and high solvent content (74%).
Best refinement results (by far!) are obtained in Refmac, by imposing P21 sg
(20 multidomain
