Dear Hauke,
others pointed out that there is little suspicious about your data, and you
can probably continue refining in P21. You also have a reasonably large unit
cell, so stick to the defaults regarding Rfree selection.
4.5A resolution is just quite hard to work with, but otherwise I don't t
Dear Tim,
In this case, I was using my anomalous dataset truncated at 5A resolution for
refinement and used Phenix to generate a Free R array:
Number of work/free reflections by resolution:
work free %free
bin 1: 49.6881 - 10.7634 [4605/4610] 4403
Hi Hauke,
so your refinement results in P1 seem to say it's untwinned. I don't see (but I
may be overlooking something?) the evidence, from what you write, that it could
not be P21 or P2, because any P2 or P21 structure can be refined in P1 (but of
course not the other way round). In other word
Dear Hauke,
when you use twin refinement, your R-factor is bound to drop whether it is
twinned or not. In your case Rfree rises, which is actually hinting at your
data not being twinned. How many reflections do you have in the Rfree set?
Best,
Tim
On Friday, October 28, 2016 1:59:29 PM CEST H
Dear Kay,
Thank you for your answer!
I have meanwhile processed my anomalous data also also as P1 and solved the
structure with MR-SAD in P1, which works flawlessly and gives the same
solution. Compared to P21, I now have 4 instead of 2 molecules in the ASU,
which makes sense. I then tried refi
Dear Hauke,
the conversion of intensities to amplitudes is an area with unsatisfactory
solutions, and the approaches of (and the assumptions made by) the different
programs differ. Low-resolution data are often anisotropic, which adds
difficulties. You could try CCP4 truncate/ctruncate and Glob
: Re: [ccp4bb] AW: [ccp4bb] intensity statistics and twinning
Another option might be to go full cryo-EM
Mark J van Raaij
CNB-CSIC
www.cnb.csic.es/~mjvanraaijOn 27 Oct 2016 21:37, "Hillen, Hauke"
wrote:
>
> Dear Mark,
>
> Thanks for your reply. Unfortunately, I have alrea
,
Hauke
Von: Mark van Raaij [mjvanra...@cnb.csic.es]
Gesendet: Donnerstag, 27. Oktober 2016 21:29
An: Hillen, Hauke
Betreff: Re: [ccp4bb] intensity statistics and twinning
I'd say intensity statistics at this resolution at not reliable and your
crysta
: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] intensity statistics and twinning
Dear ccp4 community,
I am currently working on some low resolution datasets (around 4.5A). The space
group seems to be P21, as suggested by XDS and pointless. I have collected many
datasets of these crystals, both native as
Dear ccp4 community,
I am currently working on some low resolution datasets (around 4.5A). The space
group seems to be P21, as suggested by XDS and pointless. I have collected many
datasets of these crystals, both native as well as SeMet-labeled. Using MR-SAD
I have been able to obtain a clearl
10 matches
Mail list logo
