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[ccp4bb] Correct H-bond length in CYS.cif ? |
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- Protein crystallographyMain steps:- Protein purification- Crystallisation Special:- Programs for crystallography- X-ray detectors Basic tutorials:- Chemistry- Protein - Peptide - Amino Acids Xtal community:- CCP4BB |
CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: Correct H-bond length in CYS.cif ? From: "Juergen J {- dot -} Mueller" jjm {- at -} MDC-BERLIN {- dot -} DE Date: 2007-08-16 Dear all, using refmac5 to provide H-atoms for a protein structure the distance between CYS-CG and HG is defined to 1.34 Ang. in CYS.cif. That distance has been mentioned by a non-CCP4 program by * Poor covalent bond length of 1.33954 for hydrogen atom .... In an other library-file CSH.cif the same distance is defined to 1.1 Ang. What is the correct one? Could you comment on this? (Of course I know hydrogens will not be refined ...). Thank you, Juergen CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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