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 <[log in to unmask]> 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/
>>
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