Hi Sam:
You need to index in P222 and find out the axis that does not have
systematic absence (not screwed) in P21212, then rationalize yourself how
to switch this axis to c while keeping the same handness.
But since you already know the correct index a = 96.54 b = 121.95 c =
75.33 and yours a' = 75.03 b' = 96.50 c' = 121.98. i.e. a=b', b=c', c=a'.
There is a button called "reindex" at the bottom of the scalepack page in
HKL2000. Only two possibilities for P21212 -- takes 10s to try both.
Weikai
On Mon, February 19, 2007 2:15 pm, U Sam wrote:
> Hi
> I crystallized a protein in different condition than reported before and
> structure had been already reported by other group. In both cases space
> group is P21 21 2 Right now I am not interested in solving the structure,
> but to look for some other properties. I see a difference in cell dimension
> as follows. Reported structure
> a = 96.54 b = 121.95 c = 75.33
>
> For my crystal
> a = 75.03 b = 96.50 c = 121.98
>
> This the cell dimensions are ~equal in lengths but are associated with
> different axis compare to the reported crysta structure. I used HKL2000
> for indexing. I would like to know why the above difference in cell
> dimensions. Is there any way I can index my data which would give cell
> parameters of reported structure? thanks in advance for any
> suggestion/comments. sam
>
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