small molecule crystal data collection

From: Pengfei Fang
Date: 2011/11/9

Dear All,

I have a small molecule single crystal. I want to solve its structure by x-ray diffraction.

Could you please teach me how to collect the diffraction data?

I have some experience with protein crystals. But it's the first time for small molecule.

I don't how to set the parameters, like ! oscillating angle.

And are there any key points I should pay special attention to?

Thanks in advance!

Pengfei

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From: George T. DeTitta

Ah - we've come full circle!

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From: Pengfei Fang

Thank everyone for trying to help me!

I am going to synchrotron.
As Bernie said, I will try to use the closest distance, and 5-10deg.

Thanks again!

Pengfei


On 11/9/11 5:13 PM, "Santarsiero, Bernard D." <bds@uic.edu> wrote:

You can collect 5-10deg images, and go ahead and collect 360deg. I usually
use 1-3 seconds exposures, depending on the diffraction.  The detector is
set as close as possible, to get data to 0.8-0.9A resolution. For a MAR
CCD 300mm detector, that's around 90-100mm, with the wavelength set at
0.8A, or around 15.5KeV in energy.

You can process it with HKL2000 or XDS easily.

Bernie

On 11/9/11 7:36 PM, "Xiaopeng Hu"> wrote:

X-ray machine designed for protein usually is not good for small molecule. Just go find a chemistry department/school, they can do it for you in one day.


On 11/9/11 5:15 PM, "Kris Tesh"wrote:

Pengfei,
The first thing to consider is what system you have and is it capable of collecting data to high enough resolution.  So, what data collection system is available?
Kris
 
Kris F. Tesh, Ph. D.
Department of Biology and Biochemistry
University of Houston
> I don't how to set the parameters, like oscillating angle. --
Bernard D. Santarsiero
Research Professor
Center for Pharmaceutical Biotechnology and the
 Department of Medicinal Chemistry and Pharmacognosy
Center for Structural Biology
Center for Clinical and Translational Science
University of Illinois at Chicago
MC870  3070MBRB  900 South Ashland Avenue
Chicago, IL 60607-7173  USA