[phenixbb] TLS makes my r-factors shoot through the roof

[Morten Groftehauge]

I like the new version but it does not seem to have helped much. Before it
shot up by 3%, this time by 2.5%.

[image: Inline images 1]

=/

On 29 May 2012 13:39, Morten Groftehauge
<mortengroftehauge.work at gmail.com>wrote:

> My version is 1.7.3-928. I'll try downloading the nightly and see if it
> goes away. Don't know why I didn't think of that first.
>
> Thanks
>
>
> On 29 May 2012 12:23, Pavel Afonine <pafonine at lbl.gov> wrote:
>
>> Hi Morten,
>>
>> I'm sorry about the problem.
>>
>> Are you using the latest Phenix? There was a bug in phenix.refine that I
>> fixed a while ago, and the bug behavior was very similar to what I see
>> happening in your case.
>>
>> Could you please try the latest version and see if the problem goes away?
>> Please let me know.
>>
>> Pavel
>>
>>
>> On 5/29/12 3:56 AM, Morten Groftehauge wrote:
>>
>>> Hi Phenixbb,
>>>
>>> 3.2A data, 110 Wilson B, I41, twinned. Imperfect inverted repeat dsDNA
>>> with 4 protein monomers, NCS not used in refinement.
>>> If I don't include TLS I get a nice stable R-factor while RMS goes down.
>>> If I include TLS (whether as one group per chain or as chosen by Phenix)
>>> this happens:
>>>
>>>
>>>
>>> Density disappears around some of the DNA bases as an obvious
>>> difference. If I run Refmac with TLS it just never finishes.
>>>
>>> While I could just refine without TLS this does make me worried that
>>> there is something wrong with my model or my data (besides being terrible).
>>>
>>> Cheers,
>>> Morten
>>>
>>
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>>
>
>
>
> --
> Morten K Grøftehauge, PhD
> Pohl Group
> Durham University
>
>


-- 
Morten K Grøftehauge, PhD
Pohl Group
Durham University
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