It should be The new value from aceDRG and the latest version of CCP4 monomer lib will be about 1.32.
Fei Dear Jan, It is a bug in aceDRG. It has been fixed in aceDRG and the latest version of CCP4 monomer lib. It will be in the next CCP4 updating. Thanks, Fei Hi all, while validating X-ray structure using Molprobity (web service), we got systematic outlier flags on CE1-NE2 distance in histidines. The distance is 1.36A. I have tested it also using high resolution lysozyme structure, I have laying around. There the distance refines as 1.31A and Molprobity is happy, but when Bong Angels are called in Coot (Regularize zone button :-)) the bond length goes to 1.36A and Molprobity is unhappy again. So I would like to ask, who is right or where else the problem can be. Best regards, Jan P.S. CCP4 is version 8.0.002 ######################################################################## 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/ -- Dr Fei Long Structural Studies Division MRC Laboratory of Molecular Biology Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH UK Email:fl...@mrc-lmb.cam.ac.uk Tel:+44 1223 402200 ######################################################################## 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/ ######################################################################## 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/
