cell 66.3 66.3 83.9 90.2 90.1 98.7. P2 or P21 cell Cell volume: 364551.812
Data line--- cell 86.4 100.6 83.9 90.0 90.2 90.0. Cell volume double - C2 or C222 or C2221 cell Cell volume: 729240.938. ie How many residues in your model? It is hard to decide much without seeing the data.. Eleanor On Tue, 21 Mar 2023 at 18:25, Jessica Bruhn <jessicafbr...@gmail.com> wrote: > 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 > ######################################################################## 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/
