[phenixbb] Funky message on phaser MR

R.D. Oeffner rdo20 at cam.ac.uk
Mon Aug 27 01:54:46 PDT 2012

Hi Rafael,

Phaser contains new methods to estimate what the expected LLG value will be by the end of the calculation. The expected LLG value depends on 

1) the resolution of the data
2) the RMSD of your MR model,
3) the size of the MR model compared to the structure you are trying to solve. 

For LLG values less than about 60 (I think) there is no certainty that the MR model will be placed correctly and you get this warning. Improving any of the three parameters above will help you avoiding this message.



On Aug 27 2012, Rafael Lemos Miguez Counago wrote:

>Dear all,
>I am getting this message when running Phaser-MR in Phenix (1.8-1069):
> "Warning: Resolution of data does not achieve (half) expected LLG target: placement of one/first ensemble will be 
> very difficult"
> The data scales/merges OK. - 99% complete at 2.2A, Rmerge 8.4%. TNCS is detected by Xtriage and Phaser tries to 
> account for that.
>Coincidently (?) my molecular replacement solution is not looking very good. Any ideas?
>Best wishes,

Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology, University of Cambridge
Cambridge Institute of Medical Research
Wellcome Trust / MRC Building, Hills Road, Cambridge, CB2 0XY
www-structmed.cimr.cam.ac.uk, tel:01223763234, mobile:07712 887162

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