Dear Larry,
you may have to coarsen and cut your map into 120,120,120 (full
sampling may not be needed anyway for MR) or try cutting into
240,240,240 (though I haven't tried such big values yet).
I noticed that you have already converted the axes to XYZ (I guess
with the uvw option in mapman) which is indeed needed.
By the way, sftools does a nice job for getting the reflection file
with sigmas included (needed for example for structure refinement)
and the test label on:
sftools <<EOF
MAPIN map-uvw.ccp4 map
MAP2SF
calc q col sigma = col 1 10 /
select resol > 10
CALC I col test = rfree(0.05)
WRITE data-uvw.fobs col 1 3 2 4
xpl
FOBS
PHASE
write
data-uvw.mtz
quit
EOF
(last part is to check with mtzdump HKLIN whether the reflections
have correct values)
Bruno
Hello All,
I'm trying to back-FT an EM map to produce Fs and phases to use in
molecular replacement, but am having a problem with running SFALL.
Here's the issue: When running the back-transform in SFALL (generating
structure factors from a map), I get the following error:
Incorrect sampling grid factors 255 255 255
The map parameters are given below. Does anyone have any idea of how
to deal with this?
Thanks,
Larry
Number of columns, rows, sections ............... 256 256 256
Map mode ........................................ 2
Start and stop points on columns, rows, sections -128 127
-128 127 -128 127
Grid sampling on x, y, z ........................ 255 255 255
Cell dimensions ................................. 459.00000
459.00000 459.00000 90.00000 90.00000 90.00000
Fast, medium, slow axes ......................... X Y Z
Minimum density ................................. -1.24222
Maximum density ................................. 2.25668
Mean density .................................... 0.06370
Rms deviation from mean density ................. 0.00000
Space-group ..................................... 1
Number of titles ................................ 3
--
Lawrence Shapiro, Ph.D.
Associate Professor
Dept. of Biochemistry and Molecular Biophysics
Jules and Doris Stein Professor of Research to Prevent Blindness
Edward S. Harkness Eye Institute
Columbia University
701 West 168th Street, 7th Floor
New York, NY 10032
Tel: (212)342-6029
Fax: (212)342-6026
e-mail: [EMAIL PROTECTED]
[EMAIL PROTECTED]
http://www.shapirolab.org
############################################################################
Dr. Bruno P. Klaholz
Department of Structural Biology and Genomics
Institute of Genetics and of Molecular and Cellular Biology
IGBMC - UMR 7104
1, rue Laurent Fries
BP 10142
67404 ILLKIRCH CEDEX
FRANCE
Tel. from abroad: 0033.388.65.57.55
Tel. inside France: 03.88.65.57.55
Fax from abroad: 0033.388.65.32.76
Fax inside France: 03.88.65.32.76
e-mail: [EMAIL PROTECTED]
websites:
http://www.igbmc.fr/
http://igbmc.fr/recherche/Dep_BSG/Eq_BKlah/index_uk.html
