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 apo-protein data to the complex.
Again if the data is available you may be able to check this.
Eleanor
Ibrahim M. Moustafa 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 !
Could this be considered as a typo or I'm missing something here! the
requirement for the hexagonal is a = b # C....right?
Another observation in that paper too: the B-factors for the 2.4 A and
3.2 A structures are 39 and 40?? Does this make sense to anyone??
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.
thanks,
Ibrahim
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Ibrahim M. Moustafa, Ph.D.
Biochemistry and Molecular Biology Dept.
201 Althouse Lab., Uinversity Park
Pennsylvania State University, PA16802
Tel. (814)863-8703
Fax. (814)865-7927
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