Hi Bob,
we have done elliptic truncation before merging/scaling as lined out in
2012 Zebisch (JMB).
However, I see no reason not to scale the 3 runs together with aimless
(to lets say 3.4A) and then subject the resulting merged file
to the sawata server.
Best,
Matthias
-----------------------------------------
Dr. Matthias Zebisch
Division of Structural Biology,
Wellcome Trust Centre for Human Genetics,
University of Oxford,
Roosevelt Drive,
Oxford OX3 7BN, UK
Phone (+44) 1865 287549;
Fax (+44) 1865 287547
Email [email protected]
Website http://www.strubi.ox.ac.uk
-----------------------------------------
On 11/12/2014 9:26 PM, Robert Keenan wrote:
I have three datasets of varying quality collected from different
regions of a single crystal. In each case, the data are anisotropic
(from Aimless using CC1/2>0.5):
Dataset 1: 3.5, 3.5 5.5 A
Dataset 2: 4.2, 4.3, 4.8 A
Dataset 3: 3.7, 3.9, 4.4 A
I initially took a simple-minded approach and processed each dataset
at the appropriate resolution limit (set 1: 3.5A; set 2: 4.2A; set 3:
3.7A) using XDS/XSCALE as implemented in xia2. The resulting merged
dataset seems fine (albeit with ugly stats in the high-res bins
because of the anisotropy), and it allowed me to solve the structure
(Rfree/Rcryst ~31/26).
Now I am wondering if I can improve the maps further by first applying
an ellipsoidal truncation (using the UCLA diffraction anisotropy
server) and then scaling/merging the three datasets together. However,
it seems that the UCLA anisotropy server only allows input of one
dataset at a time, and it outputs merged amplitudes.
Is there some way to obtain the elliptically truncated but unmerged
data for each of the three datasets?
More generally, are there preferred strategies for dealing with
strongly anisotropic data?
Bob
----------------
Robert Keenan
Associate Professor
Dept. of Biochemistry & Molecular Biology
GCIS W238
University of Chicago
929 East 57th Street
Chicago, IL 60637
(o) 773.834.2292
(f) 773.834.5416
(e) [email protected] <mailto:[email protected]>
http://keenanlab.bsd.uchicago.edu
