Hi Gianluca, Have you checked for diffraction anisotropy problems? It might be worth running it through the STARANISO webserver: https://staraniso.globalphasing.org/cgi-bin/staraniso.cgi. Anisotropy can make your data look twinned and elliptical truncation can help improve maps.
Good luck! Best, Jessica On Tue, Mar 21, 2023 at 11:17 AM Jon Cooper < 0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: > Hello, can you give us a screenshot of a diffraction image, with the > caveat that they never look all that good with fine-slicing, still it might > help ;-0 Also, an idea of the R-merge, R-meas, CC-half in some of those > space groups. > > Best wishes, Jon Cooper. jon.b.coo...@protonmail.com > > Sent from Proton Mail mobile > > > > -------- Original Message -------- > On 21 Mar 2023, 16:43, Gianluca Cioci < > 00008d6e5314cb4c-dmarc-requ...@jiscmail.ac.uk> wrote: > > > Dear All, > > I have collected a dataset from a small protein diffracting at 2.7A > resolution, here is the space-group determination from XDS: > > * 44 aP 0.0 66.3 66.3 83.9 90.2 90.1 98.7 > * 31 aP 1.2 66.3 66.3 83.9 89.8 90.1 81.3 > * 14 mC 1.3 86.4 100.6 83.9 90.0 90.2 90.0 > * 34 mP 2.9 66.3 83.9 66.3 90.2 98.7 90.1 > * 13 oC 3.7 86.4 100.6 83.9 90.0 90.2 90.0 > * 10 mC 4.9 100.6 86.4 83.9 89.8 90.0 90.0 > > Clearly, something weird is going on... > > The structure can be solved in C2/P21/C2221 with different number of > molecules in the AU, with Phaser complaining about strong tNCS modulation. > > However the maps look bad and the structure is impossible to refine (Rfact > > 0.5) in all the space-groups that I have tried so far... > > Thanks in advance for any advice on how to rescue these data ! > > Cheers, > > GIA > > > [image: Click to zoom the image] > > > -- > Dr. Gianluca CIOCI > Toulouse Biotechnology Institute > (TBI)http://www.toulouse-biotechnology-institute.fr/en/research/enzyme-molecular-engineering-and-catalysis/cimes.html > PICT - Plateforme Intégrée de Criblage de Toulousehttp://www.pict.ipbs.fr/ > > Tel: +33 (0)5 61 55 97 68 > E-mail: ci...@insa-toulouse.fr > > TBI - INSA Toulouse > 135 avenue de Rangueil > 31077 Toulouse CEDEX 04http://www.toulouse-biotechnology-institute.fr > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ######################################################################## 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/
