[phenixbb] phaser MR

[sbiswas2 at ncsu.edu]

Hi Francis,
Thanks for your response. The matthews coefficient suggests two molecules
in the AU. Phaser also finds two molecules. I ran the dataset through
phenix xtriage it did not indicate twinning though. The molecule also
exists in nature as a monomer.
Shya


> Twinning? What's your matthews coefficient say? Do you know if your
> structure is a multimer (biochemistry, etc)? Does  it agree with the
> matthews coefficient?
>
> If the unit cell is  not big enough to hold all of the contents,then
> this is an indicator for twinning .
>
> FR
>
> On Jul 23, 2009, at 3:09 PM, sbiswas2 at ncsu.edu wrote:
>
>> Hi all,
>>
>> I was trying to solve a structure by molecular replacement. I scaled
>> the
>> data in P4222 space group (resolution 2.7A) with two molecules in the
>> assymmetric unit (molecule A and B) I ran phaser with my model and
>> got a
>> Zscore of 5.1. When I look at the map that I got from phaser I could
>> easily see good electron density for both molecules, However upon
>> inspection of the electron density map there were considerable
>> interaction
>> or clashes with molecule B and a symmetry atom. Molecule A had no
>> clashes
>> however with the symmetry atoms. I was wondering if anyone knows how
>> to
>> resolve this.  Could it be a problem of space group. The statistics
>> are
>> good for space group P4222 and the I/sigI was good till 2.7A.
>> Any advice is appreciated,
>> Shya
>>
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>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
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