Re: [ccp4bb] B-factor & Space gr questions!

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: B-factor & Space gr questions!
From: David Briggs bassophile {- at -} GMAIL {- dot -} COM
Date: 2007-06-05

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Subject: Re: error using NCS in dm
From: Kevin Cowtan cowtan {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-06-05

Subject: Re: B-factor & Space gr questions!
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-06-05

Yes; a==b for P6i - prob. a typo..

B factors at 3.2A are hard to fix - it will depend on scaling convention
to some extent..
Can you download the data and re-run refinement for your own satisfaction.

If R ==Rfree for the complex then I suspect they did not transfer the
FreeR flags from the apo-protein data to the complex.
Again if the data is available you may be able to check this.
Eleanor

Ibrahim M. Moustafa wrote:
> Hi all,
>
> While reading a crystallographic paper describing the structure of
> an apo-protein and its complex I noticed that
>
> the authors described the space goup as P6122 for the unit cell:
> a=141.9, b=143.9, c=380.4 !
>
> Could this be considered as a typo or I'm missing something here! the
> requirement for the hexagonal is a = b # C....right?
>
> Another observation in that paper too: the B-factors for the 2.4 A and
> 3.2 A structures are 39 and 40?? Does this make sense to anyone??
>
> The last question: In the same paper, for the complex structure R and
> Rfree are equal (30%) is that an indication for improper refinement in
> these published structure? I'd love to hear your comments on that too.
>
> thanks,
> Ibrahim
>
>
>
>
> ----------------------------------------------------------------------------------------------------------
>
> Ibrahim M. Moustafa, Ph.D.
> Biochemistry and Molecular Biology Dept.
> 201 Althouse Lab., Uinversity Park
> Pennsylvania State University, PA16802
>
> Tel. (814)863-8703
> Fax. (814)865-7927
> ----------------------------------------------------------------------------------------------------------
>
>

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: B-factor & Space gr questions!
From: David Briggs bassophile {- at -} GMAIL {- dot -} COM
Date: 2007-06-05

Next message:
Subject: Re: error using NCS in dm
From: Kevin Cowtan cowtan {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-06-05