Hi Pavel,

 

Higher resolution structure will have more accurate phases than the one
determined at 10A resolution and therefore the 10A maps generated from
that structure will not be quite the same as maps from the data that
extended to only 10A. Am I missing something?

Cheers,

N.

 

Ruslan Sanishvili (Nukri), Ph.D.

GM/CA-CAT
Biosciences Division, ANL
9700 S. Cass Ave.
Argonne, IL 60439

Tel: (630)252-0665
Fax: (630)252-0667
[email protected] 

________________________________

From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of
Pavel Afonine
Sent: Wednesday, June 01, 2011 7:15 PM
To: [email protected]
Subject: Re: [ccp4bb] Very low resolution map.

 

Hi Nat,

 

playing with fake data you know the answer. Real data are good too,
although you have to keep in mind how its completeness will affect what
you look at. I can't see how B-factors are relevant if you take a model
from PDB: in this case the B-factors are what comes from PDB - real
ones.

 

Pavel. 

On Wed, Jun 1, 2011 at 5:01 PM, Nat Echols <[email protected]>
wrote:

On Wed, Jun 1, 2011 at 4:45 PM, Pavel Afonine <[email protected]>
wrote:

        to get feeling about how maps may look like at different
resolutions do the following learning exercise: download a structure
from PDB and compute Fcalc maps at different resolutions:

         

        phenix.fmodel model.pdb high_res=1

        phenix.fmodel model.pdb high_res=2

        phenix.fmodel model.pdb high_res=3

        phenix.fmodel model.pdb high_res=4

        phenix.fmodel model.pdb high_res=5

        ...

        phenix.fmodel model.pdb high_res=10

        phenix.fmodel model.pdb high_res=20

         

        then load them in Coot and you will get your answer.

 

But fake data will always look much better than real data - to start
with, the B-factors will be all wrong.

 

There are actually a handful of PDB entries that are between 8.0 and
12.0 and have experimental data deposited:

1H1K, 1PNS, 1PNX, 1VCR,1ZBB, 2QIJ, 2QZV, 3LVH, 3PCQ

and 1VOQ, 1VOR, 1VOS, 1VOU, 1VOV, 1VOW, 1VOX, 1VOY, 1VOZ, 1VP0, which
are all the same structure split over multiple files.

I'd suggest downloading a few of these and looking at the maps.
-Nat

 

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