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[ccp4bb]: Problems with PDB entry 1muo



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Dear colleagues,

This  is  not   actually  a  question  but  a   petition  that  concerns
crystallography,  or   more  accurately,  the   public  availability  of
crystallographic data.

Background:

On March 28  I tried to fetch  from the PDB the coordinates  of a kinase
whose structure was published in the Journal of Biological Chemistry the
last November. It has ID, 1muo.

"Crystal structure of aurora-2, an oncogenic serine/threonine kinase"
Cheetham GM, Knegtel RM, Coll JT, Renwick SB, Swenson L, Weber P, Lippke
JA, Austen DA.
J Biol Chem. 2002 Nov 8;277(45):42419-22. 

In this paper you can read: 

"The  atomic coordinates  and structure  factors (code  1MUO)  have been
deposited  in   the  Protein  Data  Bank,   Research  Collaboratory  for
Structural  Bioinformatics,   Rutgers  University,  New   Brunswick,  NJ
(http://www.rcsb.org/)." 

The "Instruction  to Authors" from  the Journal of  Biological Chemistry
(http://www.jbc.org/misc/ifora.shtml) states:

"Crystallographic Studies

Authors of papers describing new structure determinations must submit to
the  Protein   Data  Bank  at  Research   Collaboratory  for  Structural
Bioinformatics http://www.rcsb.org/pdb  all structural data  required to
validate the conclusions, including both x-ray amplitudes and phases and
the derived  atomic coordinates. JOURNAL policy requires  that such data
be available upon request IMMEDIATELY after publication (...)" 

Facts: 

1. There is  a 1muo entry in the  PDB with the right  title and authors,
but:

1.1. This entry doesn't include the structure factors, only coordinates. 

1.2. This entry ins "ON HOLD" until 24 September 2003. 

2. When  I contacted  the PDB  asking them  to release  the coordinates,
according  to the  journal  policies, they  told  me that  they were  in
contact with  the author to do so,  and they encouraged me  to write the
author as well.

3. I wrote to Dr. Cheetham on March 31. No answer yet. 

4. I wrote to the Journal of Biological Chemistry on April 2. They wrote
as well to Dr. Cheetham. 

5. The coordinates  are still  "on hold" and  no structure  factors have
been deposited (April 7). 

Discussion: 

I've been adviced that the PDB  has no authority to release data without
the authors'  consent. The  journal, of course,  has not  this authority
either. 

I don't know  yet what happened in this particular case.  There may be a
reasonable explanation  for the author  not remembering to  instruct the
PDB to release the coordinates, and not answering now our emails. 

But,  what can  we  do to  avoid this  happening?  It is  not honest  or
responsible  to  publish  an  article   in  a  journal  with  the  clear
requirement  of releasing  coordinates  and  data, and  then  not to  do
so. Otherwise, anybody  following the rules will be  at big disadvantage
with respect of people failing to do so.

Petition: 

Please email me with details of  any other abuses of journal policies of
which  you are  aware. I  feel that  only through  publicity  and public
complaints will the avowed policy of immediate release after publication
of coordinates and the deposition of the corresponding structure factors
be achieved.

Thank you for your attention.

Cheers,

Miguel

PS: Please, excuse me if you receive this email more than once.
-- 
Miguel Ortiz Lombardía
email: mol@ysbl.york.ac.uk
http://www.ysbl.york.ac.uk/~mol
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