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
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.
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
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
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
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
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
&
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
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
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
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