I guess you did test P3 P31 and P32? E On Fri, 11 Dec 2020 at 17:19, Schreuder, Herman /DE < herman.schreu...@sanofi.com> wrote:
> 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 <CCP4BB@JISCMAIL.AC.UK> *Im Auftrag von *Eleanor > Dodson > *Gesendet:* Freitag, 11. Dezember 2020 15:37 > *An:* CCP4BB@JISCMAIL.AC.UK > *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 <tuoamicosu...@gmail.com> > 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 <kapoorsra...@gmail.com> > 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 <tuoamicosu...@gmail.com> > 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: tuoamicosu...@gmail.com > > surajkrman...@iitg.ernet.in > > > ------------------------------ > > 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: tuoamicosu...@gmail.com > > surajkrman...@iitg.ernet.in > > > ------------------------------ > > 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 > ######################################################################## 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/
