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From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Tim Gruene
[tim.gru...@psi.ch]
Sent: 22
Hi James,
small molecule structures usually model every or nearly every atom in the
asymmetric unit - do you think that simple answer is too naive?
Best,
Tim
On Friday, September 15, 2017 9:25:25 AM CEST James Holton wrote:
> You know, I've been pondering that question for most of my adult life
James is absolutely right = the wonder of crystallography is that the
difference map can theoretically pinpoint errors and suggest what is
missing in your model..
But also check your data - modern synchrotrons often measure some
reflections to a high resolution limit, but the noise can get greater
You know, I've been pondering that question for most of my adult life.
Why can't we push macromolecular R factors down to the level of
experimental error like our "small molecule" colleagues do routinely? I
have a few ideas, and others do too. In fact, there will be session on
this topic at
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] PAK=0 problem
>
> Thanks to all for replying.
>
>
> If my solution is correct, why R/Rfree not going down from 21/25?
> I have tried most of the options like Tls, ncs refinement in refmac5 but
> these
> options are not
Thanks to all for replying.
If my solution is correct, why R/Rfree not going down from 21/25?
I have tried most of the options like Tls, ncs refinement in refmac5 but
these options are not helping me, might be I am not expert with using these
options.
Could someone guide me how to use these opti
PAK=0 is GOOD - i.e. there are no clashes between symmetry equivalent
molecules.
So I think you have solved your structure.
Eleanor
On 15 September 2017 at 07:20, rohit kumar wrote:
> Dear all,
>
> During MR using PHASER with a 1.8 A data, I found that the PAK=0 but all
> the other values are lo
Dear all,
During MR using PHASER with a 1.8 A data, I found that the PAK=0 but all
the other values are looking fine.
When I run REFMAC5 the R/Rfree values are 25/30 (without water) and 21/26
(after adding water).
Just want to know whether my solution is correct or not. if not please let
me know
