1. Completeness is primarily an issue with using the right point group
and crystal system, not the actual space group (e.g. in primitive point
group mmm the space groups P222, P2221, P21212, P212121 should all have
essentially the same completeness).
2. If "refinalize" in CrysAlisPro doesn't let you choose the right
point group and system, then you should process the data with another
program. XDS, MOSFLM, DIALS, autoPROC etc might work, and I have to
believe they'd be better at scaling your data.
3. If you can export the unscaled data from CrysAlisPro you might be
able to feed it into POINTLESS and AIMLESS for scaling
4. On the model front, go find an AlphaFold model, they have worked for
me multiple times in molecular replacement so far.
Phil Jeffrey
Princeton
On 8/2/23 3:00 PM, CENGIZ KAAN FERAH wrote:
Hello,
So I'm trying to get the data processed that I gathered from XRD for the
protein BsAlaDH. Unfortunately from the method that I know of on
CrysAlisPro I cannot select the recommended space group for the protein.
This results in the data not being complete. Still I can get good unit
cells and the degrees. Another problem is that this protein has no
structure published on PDB. And the homolog proteins do not have high
similarities. By that way I cannot really find a suitable space group.
Can someone give me a hand on this issue.
Thank you.
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