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Re: [ccp4bb]: Anisotropic B-factors



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Kostas,

I think at that resolution, you'll just be kidding yourself. We've just
completed two DHFR structures w/ NADPH at 1.05 and 1.09 A. Very hard to see
much of a pucker. For a bona fide case of puckering, due to adduct formation,
see:

Meijers et al. On the Enzymatic Activation of NADH J. Biol. Chem. 2001, v.
276, 9316-9321.

Dave

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David Borhani
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                    Konstantinos                                                                                                 
                    Beis                 To:     ccp4bb@dl.ac.uk                                                                 
                    <kb11@st-andr        cc:                                                                                     
                    ews.ac.uk>           Subject:     [ccp4bb]: Anisotropic B-factors                                            
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                    owner-ccp4bb@                                                                                                
                    dl.ac.uk                                                                                                     
                                                                                                                                 
                                                                                                                                 
                    04/04/02                                                                                                     
                    04:20 AM                                                                                                     
                                                                                                                                 
                                                                                                                                 




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Dear All,
I am working with some data at very high resolution (1.5A). The protein has
a substrate and a cofactor (NADH). I have refined the structure both
isotropically and anisotropically (in the presence and absence of the
cofactor). We are interested in the puckering of the NADH ring. I would
like to plot the anisotropic B-factors of the cofactor as ellipsoids. So
far, I have only tried Rastep in RASTER3D but I do not really understand
the way that it draws the plot. Does anybody have any suggestions on how to
do so?



Cheers,
Kostas




**********************************************
Konstantinos Beis
Centre for Biomolecular Sciences
University of St Andrews
North Haugh
St Andrews
FIFE KY16 9ST


tel: +44 1334 427265
email: kb11@st-andrews.ac.uk

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