Dear Rafal, At this resolution, one sees many amino-acid side chains with alternative conformation, so it might be a good idea to test if this is also true for nucleotides.
Best, Herman -----Ursprüngliche Nachricht----- Von: CCP4 bulletin board <[email protected]> Im Auftrag von Rafal Dolot Gesendet: Mittwoch, 29. Juli 2020 14:42 An: [email protected] Betreff: [EXTERNAL] [ccp4bb] Problems with refinement of nucleic acid structure EXTERNAL : Real sender is [email protected] Dear CCP4 users, I'm working on the another nucleic acid duplex structure. After several stages of rebuilding and refinement I observed something like a "shadow" of the second duplex position. Have you any ideas to explain this phenomena? Should I place the second molecule with occupancy completed to the first one? Or maybe is it a kind of disorder in crystal lattice? Data were collected to 1.02A using synchrotron radiation (processed with XDS), but I have another datasets collected to lower resolution (from Zn-SAD) with visible similar effects. Refinement was done using Refmac (R/Rfree 21.5/24.0). Data not appeared to be twinned, but Xtriage detected pseudo-translational symmetry. Thank you for any advices. Rafal |----------------------------------------------| |Rafal Dolot, Ph.D. | | | |Polish Academy of Sciences | |Centre of Molecular and Macromolecular Studies| |Department of Bioorganic Chemistry | |Macromolecular Crystallography Team | |Sienkiewicza 112 | |90-363 Lodz, Poland | |Phone: +48(42)6803215 | |Cell: +48 502897781 | |----------------------------------------------| ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_WA-2DJISC.exe-3FSUBED1-3DCCP4BB-26A-3D1&d=DwICAg&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=cDOmaUoERSX6Rz_GQvd1VxncHBGPvEnDlYJSypA0P-M&s=bxs7KYSqKDM2UBAguUYP_9utSJpoMdJ0N3qRJOBQ1v0&e= This message was issued to members of https://urldefense.proofpoint.com/v2/url?u=http-3A__www.jiscmail.ac.uk_CCP4BB&d=DwICAg&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=cDOmaUoERSX6Rz_GQvd1VxncHBGPvEnDlYJSypA0P-M&s=dJtlr7D5BN24QQ-TBSNysQi31jIrarcnXWm4TpREHf0&e=, a mailing list hosted by https://urldefense.proofpoint.com/v2/url?u=http-3A__www.jiscmail.ac.uk&d=DwICAg&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=cDOmaUoERSX6Rz_GQvd1VxncHBGPvEnDlYJSypA0P-M&s=61QRZ35Nd2knlHLbWpFLGGUD_aa18yIOsQtLlDQwcXo&e=, terms & conditions are available at https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_policyandsecurity_&d=DwICAg&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=cDOmaUoERSX6Rz_GQvd1VxncHBGPvEnDlYJSypA0P-M&s=sNhiuaGAxt8e9Fhizzcy4JHfAFv4fAW-8tUFxrYZDmk&e= ######################################################################## 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/
