On Tuesday 05 June 2007 12:19, Edward A Berry wrote:
> You have a good point there and I would be interested in hearing
> some other opinions, so I take the liberty of reposting-
>
> My instinctive preference is that each structure should be
> supported solely by the data that is deposited with it
I think the relevant point in this discussion is that the original paper
discussed the apo and substrate complexes of the protein. For the
structure with lower resolution data you may indeed get a better model
by taking the high resolution model and just applying rigid body
refinement to it. Af
Wouldn't the desirability of this depend on the extent to which the
molecule has moved between the high-resolution and low-resolution
datasets ? I would have thought that there was an effective information
transfer between R-work and R-free once the rigid body movements became
too large, which
You have a good point there and I would be interested in hearing
some other opinions, so I take the liberty of reposting-
My instinctive preference is that each structure should be
supported solely by the data that is deposited with it -
(one dataset one structure) but in terms of good science
we
Hi All,
Thanks a lot for all reply with valuable inputs. In my original
post: I meant a = b "does not equal" c. I used # for "does not equal".
Many asked where is that paper published! Actually the paper is
under revision. When reading, I assumed the unit cell dimensions (or
the space g
Yes; a==b for P6i - prob. a typo..
B factors at 3.2A are hard to fix - it will depend on scaling convention
to some extent..
Can you download the data and re-run refinement for your own satisfaction.
If R ==Rfree for the complex then I suspect they did not transfer the
FreeR flags from the a
Hi Ibrahim,
On 04/06/07, Ibrahim M. Moustafa <[EMAIL PROTECTED]> wrote:
Hi all,
While reading a crystallographic paper describing the structure
of an apo-protein and its complex I noticed that
the authors described the space goup as P6122 for the unit cell:
a=141.9, b=143.9, c=380.4
Ibrahim M. Moustafa wrote:
The last question: In the same paper, for the complex structure R and
Rfree are equal (30%) is that an indication for improper refinement in
these published structure? I'd love to hear your comments on that too.
Several times I solved low resolution structures using
Hi all,
While reading a crystallographic paper describing the structure
of an apo-protein and its complex I noticed that
the authors described the space goup as P6122 for the unit cell:
a=141.9, b=143.9, c=380.4 !
Could this be considered as a typo or I'm missing something here!
the
