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Re: [ccp4bb] Alternative conformation of Phe and Tyr? |
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CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: Re: Alternative conformation of Phe and Tyr? From: "Steiner, Roberto" roberto {- dot -} steiner {- at -} KCL {- dot -} AC {- dot -} UK Date: 2012-07-27 Or refine the occupancies with Refmac... Roberto >From my iPhone On 27 Jul 2012, at 11:04, "Tim Gruene" > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear Ngo Duc Tri, > > I would manually set the occupancy of chain A to about 30% and chain > B's to 70% and try again.There is density for chain A present in the > second picture, it is just weaker. > > Cheers, > Tim > > > On 07/27/12 10:01, Tri Ngo wrote: >> Dear ccp4bb, >> >> >> I am working on refinement of an enzyme structure. I notice an >> alternative conformation (gauche+ and gauche-) on both residues Phe >> and Tyr. >> >> >> Here is the image of electron density before refinement. Based on >> the different map intensity, I am quite sure there is an >> alternative conformation on both positions. >> >> >> http://i50.tinypic.com/29zaoap.jpg >> >> >> However, after running occupancy refinement by Phenix, I don't see >> the density map at the gauche- conformation of Tyr residue. Please >> take a look at the image 2. >> >> >> http://i50.tinypic.com/anzfrn.png >> >> >> So do you think the gauche- conformation of Tyr exists in this >> structure. Should I keep it in the final model because there is no >> positive map there? >> >> >> >> Thank you very much for your input. >> >> > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.12 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFQEmd7UxlJ7aRr7hoRAsy8AKCKlbHZxS+jR3JMIZbzhFQnRD13/ACeJk1D > T7WJvAy48cOevzV6pJF4t2M= > =lpal > -----END PGP SIGNATURE----- CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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