Hi Kavya,

The important point here is that the calculator provides 'probabilities' and 'estimates' based on the most probable values observed in the PDB. If your protein deviates from a number of simple assumptions and 'average properties' then the predictor must invariably but statistically correct assign a low probability for your monomer or assembly.

In the original calculator,
http://www.ruppweb.org/mattprob/default.html
the output is more verbose and following a suggestion of Dale Tronrud, emphasizes probability and lists more digits for the probability as not to confuse people by stating 0.00 for very low probabilities. Maybe this can be adapted in the Phaser output.

More discussion of the limits of such predictions can be found in the kernel update paper:
http://scripts.iucr.org/cgi-bin/paper?S1399004714005550

Best, BR
 

On Mon, Sep 28, 2015 at 12:25 AM, Randy J. Read <[log in to unmask]> wrote:
Hi,

I don't think you would get such low R-factors so readily if you were missing half the structure. 73% solvent is unlikely but not impossible. If you look at the packing, is there a connected lattice that could form a plausible crystal?  If your protein is a dimer, is there an appropriate dimer generates by symmetry?

Another possibility is that there is statistical disorder, if you don't see plausible packing.

Best wishes,

Randy Read

----
Randy J. Read

> On 28 Sep 2015, at 07:54, Kavyashree Manjunath <[log in to unmask]> wrote:
>
> Dear users,
>
> I am working on a 25kDa protein. The data was processed in
> P6122 space group. According to the Matthews coefficient
> calculated by "cell content analysis" program in CCP4, it is
> a dimer with a probability of 0.98.
>
> -----------------------------------------------------------
> Nmol/asym  Matthews Coeff  %solvent       P(3.53)     P(tot)
> _____________________________________________________________
>  1         4.63            73.44         0.02         0.01
>  2         2.31            46.88         0.97         0.98
>  3         1.54            20.32         0.00         0.00
> -----------------------------------------------------------
> I searched for dimer, but Phaser did not give any solution.
> but gave a solution when searched for a monomer.
>
> One round of refinement with the monomer, resulted in an R
> and Rfree of 0.26 and 0.32 respectively.
>
> Why PHASER is not giving a dimer? What problem could the data
> have in such cases?
>
> Thank you
> Regards
> Kavya
>
>
>
>
>
>
> --
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