Hi,
Any clues why the followting happens: pointless (and just looking at the XDS
output) clearly tells there is one screw axis in P-ortorhombic (P2212)
yet phaser gives the best Z-scores in P22121. (...I suspect this may be to do
with twinning - might be monoclinic twiined still though now proces
How many molecules in the asymmetric unit? and is there a
non-crystallographic translaton?
Eleanor
On 8 August 2018 at 15:29, Kajander, Tommi A
wrote:
> Hi,
> Any clues why the followting happens: pointless (and just looking at the
> XDS output) clearly tells there is one screw axis in P-ortorh
Lähetetty: keskiviikko 8. elokuuta klo 17.46
Aihe: Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions
Vastaanottaja: Kajander, Tommi A
Kopio: CCP4BB@JISCMAIL.AC.UK
How many molecules in the asymmetric unit? and is there a non-crystallographic
translaton?
Eleanor
On 8 August 2018
l quality in some
> directions - overall data is not great...
>
> Best,
> Tommi
>
>
> Kohteesta: Eleanor Dodson
> Lähetetty: keskiviikko 8. elokuuta klo 17.46
> Aihe: Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions
> Vastaanottaja: Kajander, Tommi A
&
Dear Tommi,
did you check whether you collected any reflections at all that should
be absent for the second screw axis? If there are non - which could
easily happen with low resolution, incomplete data - pointless and XDS
might be conservative and not estimate the likelihood for the second
screw-a
Hi Tim - There are reflections in all directions and only one clearly has
systematic absenses. Although only few seem to be present in one direction (But
thats the h00 direction here
+ all are present though) -phaser finds with same data P22121 as the strongest
solution (few reflections are weak
Well that is pretty obviously P 2 21 2 - h 0 0 and l 0 0 are obviously
present..
The 0 k 0 absences could be generated by a nc translation of x, 1/2, z - do
you have that?
Twinning is unusual in P2/mmm but possible of course - can you send the
pointless log file?
Eleanor
On 9 August 2018 at
Tommi,
one aspect that may be confusing is that XDS and POINTLESS by default have a
different way to describe the setting of orthorhombic space groups with 1 or 2
screw axes
This seems relevant for this particular project, and is discussed in
https://strucbio.biologie.uni-konstanz.de/xdswiki/in
These problems are a pain!
My (half-baked) thoughts
0) Yes - get rid of all junk images etc and inspect the frames - we have
had a case where MR would not work for the "best" crystal as processed by
XDS, but when we looked at the images there was clear streaking and other
technical problems. t
Just to be clear, the Pointless default setting (“CELL-BASED”), which has a On 10 Aug 2018, at 08:29, Kay Diederichs
> wrote:
>
> Tommi,
>
> one aspect that may be confusing is that XDS and POINTLESS by default have a
> different way to describe the setting of orthorhombic space groups with 1
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