Dear Shanti Pal Gangwar,
based on the information you give, this does not sound like "solved structure"
to me.
By the way, the ACA conference at the end of May will feature a session "data
processing with the pros", where difficult projects will be analyzed, and
hopefully structures like this
in/citedin?dz5235
>
>
> *From:* Rick Lewis [mailto:r.le...@ncl.ac.uk]
> *Sent:* Dienstag, 4. Februar 2014 15:24
> *To:* b...@hofkristallamt.org
> *Subject:* Re: [ccp4bb] high Rwork / Rfree after MR
>
> a third of nothing is till nothing... see attached screendump
>
> ;
/cgi-bin/citedin?dz5235
From:Rick Lewis [mailto:r.le...@ncl.ac.uk]
Sent: Dienstag, 4. Februar 2014 15:24
To: b...@hofkristallamt.org
Subject: Re: [ccp4bb] high Rwork / Rfree after MR
a third of nothing is till nothing... see attached screendump
;-)
On 04/02/14 14:19, Bernhard Rupp wrote
: [ccp4bb] high Rwork / Rfree after MR
a third of nothing is till nothing... see attached screendump
;-)
On 04/02/14 14:19, Bernhard Rupp wrote:
EDSTATS is part of CCP4
….which in fact I cite in 33% of all of its CrossRef references
http://scripts.iucr.org/cgi-bin/citedin?dz5235/
Touché
@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] high Rwork / Rfree after MR
And really we should not be using real space CC or real space R anymore -
not since Tickle 2012
(http://scripts.iucr.org/cgi-bin/paper?S0907444911035918)
EDSTATS is part of CCP4.
phx
On 04/02/2014 13:31, Bernhard Rupp wrote
And really we should not be using real space CC or real space R anymore
- not since Tickle 2012
(http://scripts.iucr.org/cgi-bin/paper?S0907444911035918)
EDSTATS is part of CCP4.
phx
On 04/02/2014 13:31, Bernhard Rupp wrote:
> interpretable electron density map is obtained to which most
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Dear Shanti Pal Gangwar,
which strategy did you pursue after MR - did you start model building,
or did you start with refinement? In case of the latter you may have
erased what actually helps you get a better model. One easy way to
check is the geomet
> interpretable electron density map is obtained to which most of your
protein model can be fitted properly. The primary numeric indication for
that are your R-factors.
Minor comment: The measure for the fit of the *model (density) to the
electron density* is actually a local real space correl
Hello Shanti,
Typically, one can safely claim a solved structure once an interpretable
electron density map is obtained to which most of your protein model can be
fitted properly. The primary numeric indication for that are your R-factors.
The high values you have suggest that either something
Well - that depends on many things.
Are you sure of the spacegroup? Those R factors sometimes indicate a
wrong selection of SG P212121 instead of P21212 for example..
Are you sure the data is not twinned?
Do the maps show features which are not in the model?
etc etc
Eleanor
On 4 February 2014
Dear All
I have solved one structure by MR. The data data quality was poor so the
Rmerge was high. The resolution of the data is 3.3 Angstrom.The refinement
statistics are also very poor Rw/Rf= 40/42 %. After many efforts we are not
able to get reasonable Rw/Rf.
My question is "can it be claimed
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