[phenixbb] Different cell content than expected in Xtriage

Jobi jobichenc at gmail.com
Tue Aug 18 07:00:23 PDT 2015

Dear Bishal,
The correctness of the solution is not only based on the cell content analysis. 
In the first run the program might have located only 2 molecules or there is only 2 molecules in the asu.

What are the TFZ and RFZ scores? Have you looked at the map after getting this solution?

Need to provide bit more details to get a clear picture.
Please take a look at the following link.


Sent from my iPhone

> On 18 Aug 2015, at 9:02 pm, Singh, Bishal <b.singh at dkfz-heidelberg.de> wrote:
> Dear all,
>  I am solving crystal structure of a protein of size 33.7kDa in space group P 43 21 2 at 2.25 Å resolution. Unit cells constants are 121.51 121.51 156.6 90 90 90.
> The cell content analysis in Xtriage showed 1050 residues (~ 3X 33.7 kDa) per ASU with 50 % solvent content, whereas the molecular replacement in mr-phaser produced a dimer (2X 33.7 kDa). When we consider a dimer per ASU, it should have approximately 70 % solvent content. Please suggest me whether solution is right or not. I shall appreciate your opinions.
> Kind regards,
> Bishal
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