The best check for what to expect in an asymmetric unit is to run
matthews. It works out the volume of your asymmetric unit, the volume
your molecule should occupy ( based on mol. wt or number of residues)
and indicates whether you could fit one, two and so on molecules into
the cells asymmetric unit.
Dont worry that the dimensions of the molecule are longer than the cell
edges. You can fit very strangely shaped objects into tight corners by
orientating them in subtle ways. A very poor picture!
Box ------------------------
| \ |
| \ |
| \ |
| \ |
| \molecule |
--------------------------
Eleanor
rote:
Hi Jürgen,
Many thanks for your message. Somehow Mosflm in CCP4 did not
recognize the images. Will try XDS. or d*TREK. Still no answers for
that P21 one-molecule solution. It does not collide with itself. The
model is about 60 A wide and 82 A long. Unit cell dimensions of a=50
b=51 c=252. if we have 82 A along the 252A, the 60 A is wider than
the
other two dimensions. I was surprised to see the previous postdoc got
pretty good density for this molecule.
Many thanks,
Chunmin
On Sun, Mar 7, 2010 at 3:00 PM, Jürgen Bosch <[email protected]> wrote:
On Mar 7, 2010, at 4:35 PM, Chunmin L wrote:
I can not reprocess the data to
check the systematic absence to determine the space group (I do not
have the right software to reprocess the raw image at this time).
What exactly do you mean by that ? The world does not consist of HKL alone,
there are other options available even CCP4 ones e.g. Mosflm or non-CCP4
e.g. XDS. or d*TREK
Jürgen
-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-3655
http://web.mac.com/bosch_lab/
