Apropos Phil’s last point - > > 4. On the model front, go find an AlphaFold model, they have worked for me > multiple times in molecular replacement so far.
If there is no extant Alphafold model, it may be worthwhile creating your own via colabfold (duckduckgo it like I did…). Only takes a short time... best wishes Harry > On 2 Aug 2023, at 20:20, Phil Jeffrey <pjeff...@princeton.edu> wrote: > > 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. >> ------------------------------------------------------------------------ >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> <https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=05%7C01%7Cpjeffrey%40PRINCETON.EDU%7Ca39f5ce183ef4277715608db938c34bd%7C2ff601167431425db5af077d7791bda4%7C0%7C0%7C638266002730226032%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=yOpB80eriM%2FMS07e8o4YNZRFiTVN%2FdGOmNiSNZxSxN0%3D&reserved=0> > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
