Assessing quality of high-res refinement?

Darren Nickerson dnicker at ermine.ox.ac.uk
Thu Jan 8 12:04:30 EST 1998


In article <Pine.SGI.3.91.980108111158.5144B-100000 at kali>,
Flip Hoedemaeker  <fhoedem at oci.utoronto.ca> wrote:
>On 8 Jan 1998, Darren Nickerson wrote:
>
>> 
>> Of course, thanks ;-) But is PROCHECK really suitable for data approaching
>> atomic resolution? In broad terms it is, of course, but isn't it based on
>> a library of structures of "at least 2.0 Angstroms"? Perhaps it includes its
>> own bias which may not be appropriate to really high-res work?
>> 
>> -Darren
>> 
>
>OK, but what do you want to do? If you really have atomic resolution data 
>you can release almost all distance and geometry retraints in your 
>refinement. At that point you will be guided only by R and Rfree. If you 
>want a PROCHECK-like program based only on atomic resolution data I think 
>the database is still too small? Of course, I haven't been fortunate 
>enough to have that kind of data myself....

I was trying to determine if the atomic resolution jocks had yet come
to any concensus on what one could expect in terms of bond-length and angle
deviations . . . I have found the following reference which begins to discuss
emerging trends:

	Dauter et. al, Current Opinion in Structural Biology 1997, 7:681-688

-Darren





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