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
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
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
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
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,
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 -
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
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
