Pseudo translation doesnt seem too much of a problem if the model is OK.
MOLREP uses it within the search, phaser seems not to mind too much for
a general translation..
I dont know about pathological cases where the crystal is very near but
not quite C centred, ie the translation is quite spec
0:28
Subject: Re: [ccp4bb] Let's talk pseudotranslational symmetry (or maybe it's
bad data).
To: CCP4BB@JISCMAIL.AC.UK
> Is there a program that does ? I was under the impression
> that they
> were all equally good/bad at this, because any solution that
> agrees with
>
Actually, with a non-origin peak height only 1/4 of the origin and a
translation that does not correspond exactly to a centering operator, Phaser
has a very good chance of coping with this case. I think that the space group
ambiguity of whether the 2-fold parallel to x is a screw axis or a pure
I have used phaser to successfully solve a structure in P2x2x2x that had
pseudo-translational symmetry. It was unable to correctly choose the space
group, but after running phaser in all 8 possible space groups and inspecting
the best solutions in each the correct solution was clear. Furthermo
molrep can deal with some of the PST cases.
Garib
On 9 Feb 2011, at 22:27, Phil Jeffrey wrote:
> Is there a program that does ? I was under the impression that they were all
> equally good/bad at this, because any solution that agrees with the PTS has
> quite a high score and any solution tha
Is there a program that does ? I was under the impression that they
were all equally good/bad at this, because any solution that agrees with
the PTS has quite a high score and any solution that doesn't has a low
score, irrespective of the correctness of the placement of the molecules.
In one
Just to add to Phil and Eleanor's response...
I would NOT use Phaser for MR with PTS present. It doesn't handle it
correctly yet, since the likelihood targets don't account for PTS.
Others may be able to explain it better.
Its probably not C-centered (as Eleanor mentions) and you should try t
Yees - a translation of 0.5 along x means you must consider SGs P212121
and P2 21 21 since the absences will be present (at least at low
resolution) with either SG.
I dont know how good Phenix would be at distinguishing between z=0.233
and z=0.25
However even if the exact peak is at z0.25, i
As a general principle, I would always run MR searches in all 8 P2x2x2x space
groups just to get some controls, if you haven't done it already. Trivial to do
in Phaser
Phil
On 8 Feb 2011, at 17:49, Francis E Reyes wrote:
> Hi all
>
> I have a case of a dataset that indexed, integrated, and sc
Hi all
I have a case of a dataset that indexed, integrated, and scaled well
in P 21 21 21 (55.6410 81.6493 147.1294 90. 90.
90.) . The data has an Mn(i/sd) of 2.1 at 3.5 A with a Rpim of
about 0.398 at the highest resolution shell (3.49-3.58).
Analysis with phenix.xtr
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