I see, there is no consensus about my data. Some people say 2.4A, other
say all. Well, I chose 2.3 A. My rule was to be a little bit below Rmerg
100%. At 2.3A Rmerg was 98.7%
Actually, I have published my paper in JMB. Yes, reviewers did not like
that and even made me give Rrim and Rpim etc.
Maia
Bernhard Rupp (Hofkristallrat a.D.) wrote:
First of all I would ask a XDS expert for that because I don't know exactly
what stats the XDS program reports (shame on me, ok) nor what the quality of
your error model is, or what you want to use the data for (I guess
refinement - see Eleanor's response for that, and use all data).
There is one point I'd like to make re cutoff: If one gets greedy and
collects too much noise in high resolution shells (like way below <I/sigI> =
0.8 or so) the scaling/integration may suffer from an overabundance of
nonsense data, and here I believe it makes sense to select a higher cutoff
(like what exactly?) and reprocess the data. Maybe one of our data
collection specialist should comment on that.
BR
-----Original Message-----
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Maia
Cherney
Sent: Thursday, March 03, 2011 9:13 AM
To: [email protected]
Subject: Re: [ccp4bb] I/sigmaI of >3.0 rule
I have to resend my statistics.
Maia Cherney wrote:
Dear Bernhard
I am wondering where I should cut my data off. Here is the statistics
from XDS processing.
Maia
On 11-03-03 04:29 AM, Roberto Battistutta wrote:
Dear all,
I got a reviewer comment that indicate the "need to refine the
structures
at an appropriate resolution (I/sigmaI of>3.0), and re-submit the
revised coordinate files to the PDB for validation.". In the
manuscript I present some crystal structures determined by molecular
replacement using the same protein in a different space group as
search model. Does anyone know the origin or the theoretical basis of
this "I/sigmaI>3.0" rule for an appropriate resolution?
Thanks,
Bye,
Roberto.
Roberto Battistutta
Associate Professor
Department of Chemistry
University of Padua
via Marzolo 1, 35131 Padova - ITALY
tel. +39.049.8275265/67
fax. +39.049.8275239
[email protected]
www.chimica.unipd.it/roberto.battistutta/
VIMM (Venetian Institute of Molecular Medicine) via Orus 2, 35129
Padova - ITALY tel. +39.049.7923236 fax +39.049.7923250 www.vimm.it
