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If we want to continue going backwards in history: What about 1LYZ,
2LYZ, 3LYZ, 4LYZ, 5LYZ, 6LYZ that were deposited with the PDB in 1977?
The corresponding JRNL was published in 1974:
Diamond, R., Real-space refinement of the structure of hen egg-white
lysozyme., J.Mol.Biol., v82, pp.371-391, 1974
Frances Bernstein
P.S. I knew there had to be some advantage to getting older.
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On Thu, 24 Aug 2006, Bart Hazes wrote:
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> *** CCP4 home page http://www.ccp4.ac.uk ***
>
>
> Bernhard Rupp wrote:
> > *** For details on how to be removed from this list visit the ***
> > *** CCP4 home page http://www.ccp4.ac.uk ***
> >
> >
> >
> >>That's been done, of course:
> >
> >
> >>Furnham N, Blundell TL, DePristo MA, Terwilliger TC, "Is one solution good
> >
> > enough?".
> >
> >>Nature StructuralMolecular Biology 13, pp184-5 (2006).
> >
> >
> > and before then
> >
> > Concanavalin in a dimeric crystal form: revisiting structural accuracy and
> > molecular flexibility. K.Kantardjieff, P.Höchtl, B.Segelke, F.-M. Tao and
> > B.Rupp. Acta Crystallogr D58:735-743 (2002)
> >
> > http://www.ruppweb.org/cvs/br/Kantardjieff_2002_actaD_ConA_SNW_flexibility.p
> > df
> >
> > Cheers, BR
>
>
> and before then
> ===============
>
> Highly constrained multiple-copy refinement of protein crystal structures
> Matteo Pellegrini 1, Niels Grønbech-Jensen 1 2, Jennifer A. Kelly 1,
> Gaston M.U. Pfluegl 1, Todd O. Yeates 1 *
>
>
> and before then
> ===============
>
> Acta Cryst. (1995). D51, 85-92 [ doi:10.1107/S0907444994007158 ]
> Time-averaging crystallographic refinement: possibilities and
> limitations using [alpha]-cyclodextrin as a test system
> C. A. Schiffer, P. Gros and W. F. van Gunsteren
>
> Abstract: The method of time-averaging crystallographic refinement is
> assessed using a small molecule, [alpha]-cyclodextrin, as a test system.
> A total of 16 refinements are performed on simulated data. Three
> resolution ranges of the data are used, the memory relaxation time of
> the averaging is varied, and several overall temperature factors are
> used. The most critical factor in the reliable application of
> time-averaging is the resolution of the data. The ratio of data to
> molecular degrees of freedom should be large enough to avoid overfitting
> of the data by the time-averaging procedure. The use of a free R-factor
> can aid in determining whether time-averaging can be reliably applied.
> Good ensembles of structures are obtained using data up to 1.0 or 2.0 Å
> resolution. Comparison of electron-density maps from time-averaging
> refinement and anisotropic temperature-factor refinement indicates that
> the former technique yields a better representation of the exact data
> than the latter.
>
> --
>
> ==============================================================================
>
> Bart Hazes (Assistant Professor)
> Dept. of Medical Microbiology & Immunology
> University of Alberta
> 1-15 Medical Sciences Building
> Edmonton, Alberta
> Canada, T6G 2H7
> phone: 1-780-492-0042
> fax: 1-780-492-7521
>
> ==============================================================================
>
>
