Re: [ccp4bb] Data 3 A
On Tuesday, 12 January 2021 15:22:18 PST rohit kumar wrote: > Dear all, > > I am trying to solve a data with 3 A resolution, however data quality is > very bad and mathews coffi. suggest two molecules per ASU but It always > gives one molecule in AU after phaser with the TFZ and RFZ score are 4.5 > and 3.5 respectively with LLG gain 121. > And when I used that model for Refmac the final R/Rfee is 23/30 and with > satisfactory Ramachandran statistics as well as electron density and model > in agreement with each other in coot. Does It mean that I have > correct solution? Sounds promising. The other to check is that the model you have exhibits a set of lattice contacts sufficient to form a believable crystal packing. If the symmetry-related molecules do not touch each other then there must be some component missing from your model. cheers, Ethan -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg MS 357742, University of Washington, Seattle 98195-7742 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=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/
Re: [ccp4bb] Data 3 A
Hi, Have you looked at the packing of your crystal with that single molecule in the ASU. Is it enough to build a crystal as in symmetry related mates contact each other (with probably quite a bit a solvent) but still a crystal. That would not be shocking since your resolution is average (on offense intended). Best, Pascal Egea On Tue, Jan 12, 2021 at 3:22 PM rohit kumar wrote: > Dear all, > > I am trying to solve a data with 3 A resolution, however data quality is > very bad and mathews coffi. suggest two molecules per ASU but It always > gives one molecule in AU after phaser with the TFZ and RFZ score are 4.5 > and 3.5 respectively with LLG gain 121. > And when I used that model for Refmac the final R/Rfee is 23/30 and with > satisfactory Ramachandran statistics as well as electron density and model > in agreement with each other in coot. Does It mean that I have > correct solution? > Please suggest, > > -- > Regards > Dr. Rohit Kumar Singh > Postdoctoral fellow > > > > -- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > -- Pascal F. Egea, PhD Associate Project Scientist UCLA, David Geffen School of Medicine Department of Biological Chemistry Boyer Hall room 356 611 Charles E Young Drive East Los Angeles CA 90095 office (310)-983-3515 lab (310)-983-3516 email pegea at mednet.ucla.edu To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=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/
[ccp4bb] Data 3 A
Dear all, I am trying to solve a data with 3 A resolution, however data quality is very bad and mathews coffi. suggest two molecules per ASU but It always gives one molecule in AU after phaser with the TFZ and RFZ score are 4.5 and 3.5 respectively with LLG gain 121. And when I used that model for Refmac the final R/Rfee is 23/30 and with satisfactory Ramachandran statistics as well as electron density and model in agreement with each other in coot. Does It mean that I have correct solution? Please suggest, -- Regards Dr. Rohit Kumar Singh Postdoctoral fellow To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=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/
