Hi Suraj, It is strange that the P3 crystals do not produce a MR solution. Since they all came from the same crystallization condition, you may want to check that no proteolytic cleavage of your protein has taken place and that your crystals only contain a fragment of your protein. You may also want to check that at least one complete molecule would fit into the asymmetric unit of your P3 crystals. Your R and Rfree values for your C2 data set may be artificially low due to the detwinning procedure, but as Eleanor mentions, they are not bad.
What I would do in any case is to rebuild and refine the structure of your C2 crystals as well as possible. In the worst case that could be the only structure you get, but there are worse things. Most crystals structures in the PDB have been solved from a single crystal form. You can then use your rebuilt and refined model to run again MR with your P3 data. Maybe you are lucky and get a solution this time. Best, Herman Von: CCP4 bulletin board <[email protected]> Im Auftrag von Eleanor Dodson Gesendet: Freitag, 11. Dezember 2020 15:37 An: [email protected] Betreff: Re: [ccp4bb] Problem in finding a MR solution Well - C2 is a sub cell for P3 so that isnt surprising, but a cell difference of 202 to 212 means it isnt isomorphous.. But an Rw Rf/ of 26/31 isnt bad for such low resolution data? Eleanor On Fri, 11 Dec 2020 at 12:01, Suraj Kumar mandal <[email protected]<mailto:[email protected]>> wrote: Dear Sir, Yes, we have checked handedness also. We are using the same MR solution with other data. With best regards Suraj On Fri, Dec 11, 2020 at 4:56 PM srajan kapoor <[email protected]<mailto:[email protected]>> wrote: Have you checked for handedness to solve this problem?. You can also try to use the structure that you have solved for molecular Replacement of the other crystals. I have only two things in mind currently. I hope it will work for you. On Fri, Dec 11, 2020, 4:48 PM Suraj Kumar mandal <[email protected]<mailto:[email protected]>> wrote: Dear All, We are trying to solve a structure of a protein, for which we have collected five different home source data at 3.2-3.5 Ang resolution. We are processing the data using iMOSFLM and the program suggests P3 (and related) space groups for all the data. We are able to get a solution with one data (twinned) in C2 space group with Rw/Rf of 26/28%. However, the same solution can not be obtained using other four data. Interestingly, one of these four data is not twinned. The only common thing in these four data, I find, is that they are crystallized in the same crystallization condition, whereas, the data which gives solution is crystallized in another condition. The template has 69% sequence identity with the target protein. Any suggestion to troubleshoot this would be appreciated. With best regards, Suraj -- Suraj Kr. Mandal Research Scholar Structural and Computational Biology Lab Department of Biosciences and Bioengineering Indian Institute of Technology (IIT), Guwahati Guwahati, Assam 781039 Ph.: 09678244566 E.mail: [email protected]<mailto:[email protected]> [email protected]<mailto:[email protected]> ________________________________ 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://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7CHerman.Schreuder%40SANOFI.COM%7C24fc494f40dc4215e43b08d89de23c2c%7Caca3c8d6aa714e1aa10e03572fc58c0b%7C0%7C0%7C637432942285485411%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=76eqCDiy5%2BJ2FTwDgfjkHrWlbesp0kSMwnKnEE0WPw8%3D&reserved=0> -- Suraj Kr. Mandal Research Scholar Structural and Computational Biology Lab Department of Biosciences and Bioengineering Indian Institute of Technology (IIT), Guwahati Guwahati, Assam 781039 Ph.: 09678244566 E.mail: [email protected]<mailto:[email protected]> [email protected]<mailto:[email protected]> ________________________________ 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://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7CHerman.Schreuder%40SANOFI.COM%7C24fc494f40dc4215e43b08d89de23c2c%7Caca3c8d6aa714e1aa10e03572fc58c0b%7C0%7C0%7C637432942285485411%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=76eqCDiy5%2BJ2FTwDgfjkHrWlbesp0kSMwnKnEE0WPw8%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<https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7CHerman.Schreuder%40SANOFI.COM%7C24fc494f40dc4215e43b08d89de23c2c%7Caca3c8d6aa714e1aa10e03572fc58c0b%7C0%7C0%7C637432942285495404%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=EXNH%2F%2FzozCfqJoVRiBTTaJzX65YF2TRf9lSCK%2Fzziyw%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/
