Thanks everybody for your replies. I am having another look at my data in
P1 and will post an update and summary to the list.
--
Kevin Jude, PhD
Structural Biology Research Specialist, Garcia Lab
Howard Hughes Medical Institute
Stanford University School of Medicine
Beckman B177, 279 Campus Drive, Stanford CA 94305
Phone: (650) 723-6431
On Fri, May 31, 2019 at 1:09 PM Kevin Jude <kj...@stanford.edu> wrote:
> Hello community, I wonder if I could solicit advice about a problematic
> dataset. I plan to solve the structure by molecular replacement and expect
> that the protein is relatively compact, ie not elongated. SAXS data
> supports this expectation.
>
> The crystals diffract to 2.6 Å resolution and appear to be in P 21 21 2
> with a = 49, b = 67, c = 94, which should fit <=2 molecules in the ASU with
> 40% solvent. The native Patterson shows a large peak (12 sigma) suggesting
> a tNCS vector of {0.5, 0.5, 0}.
>
> If you're sharper than me, you may have already spotted the problem - c is
> the long axis of the unit cell, but tNCS constrains the proteins to a plane
> parallel to the a,b plane. Indeed, molecular replacement attempts using
> Phaser will not give a solution in any orthorhombic space group unless I
> turn off packing, and then I get large overlaps in the a,b plane and huge
> gaps along c.
>
> Since I believe that my model is good (or at least the correct shape,
> based on SAXS), I wonder if I'm misinterpreting my crystallographic data.
> Any insights into how to approach this problem would be much appreciated.
>
> --
> Kevin Jude, PhD
> Structural Biology Research Specialist, Garcia Lab
> Howard Hughes Medical Institute
> Stanford University School of Medicine
> Beckman B177, 279 Campus Drive, Stanford CA 94305
> Phone: (650) 723-6431
>
>
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