From: [email protected]
To: [email protected]
Subject: RE: [ccp4bb] Rfactor got stuck with a data having alternate strong and
weak reflections.
Date: Fri, 4 Sep 2009 07:36:34 -0700
Dear ALL;
I am sorry for being silent because I went out of town for a meeting.
According to Eleanor's suggestion, I checked the native patterson.
Actually it turns out that there is a translation along b axis (0.0
0.5 0.0), which is slightly different from Phaser solution(0.02 0.5 0.0).
Then I translated my two good ones using this vector. However, it did
not help dramatically although I have not finished the refinement.
So, what I should do now to further lower the R factors?
Thanks a lot,
Jerry
> Date: Fri, 4 Sep 2009 21:54:47 +0900
> From: [email protected]
> Subject: Re: [ccp4bb] Rfactor got stuck with a data having alternate strong
> and weak reflections.
> To: [email protected]
>
> One paper in Acta. Cryst. (2006) D62, 1369-1374 described the same
> problem of pseudo-symmetry. To lower the Rfactor they used (h+k+l=2n+1)
> odd reflections for rigid body refinement and (h+k+l=2n) even
> reflections for restrained refinement. By this way they could decrease
> R/Rfree from (0.425/0.434) to (0.235/0.311).
>
> Youssef
>
> Anastassis Perrakis wrote:
> >
> > On Sep 4, 2009, at 11:04, Ben Ammar Youssef wrote:
> >
> >> Hi all,
> >> I just want to ask another question related to this topic:
> >> Based on the example given by Jerry McCully and if the data has
> >> alternate strong and weak reflections, how can we split it into two
> >> different files; one containing the weak reflections and the other
> >> containing the strong reflections?
> >
> > I guess what you mean is to separate different layers along a
> > reciprocal direction in two files?
> > (and not simply strong vs weak reflections ...)
> >
> > These are be possible to do in sftools with a bit of playing and rtfm,
> > but I am not sure where it would lead you.
> >
> > Tassos
> >
> >>
> >> Youssef
> >
> > *P** **please don't print this e-mail unless you really need to*
> > Anastassis (Tassos) Perrakis, Principal Investigator / Staff Member
> > Department of Biochemistry (B8)
> > Netherlands Cancer Institute,
> > Dept. B8, 1066 CX Amsterdam, The Netherlands
> > Tel: +31 20 512 1951 Fax: +31 20 512 1954 Mobile / SMS: +31 6 28 597791
> >
> >
> >
> >
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