Dear Jiyuan, There was a similar question on the bulletin board some 6 years ago; my response then (links below) complements some of the other great suggestions already made in answer to your question:
<https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1403&L=CCP4BB&P=R355103>, and <https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1403&L=CCP4BB&P=R358060>. I believe some 90% of small molecule structures are solved using the SHELX suite of programs by Prof. Sheldrick, so that should be a great start. The programs are very easy to use, with great defaults. (There used to be a joke that to solve this or that problem, all you had to do is start one of his programs and press enter 5 times.) As before, I'd highly recommend you read Mueller et al.'s excellent book with detailed tutorials. It provides the data and walks you through detailed examples in solving and refining small molecule structures: Peter Müller, Regine Herbst-Irmer, Anthony Spek, Thomas Schneider and Michael Sawaya. IUCr/Oxford, 2006 <http://ukcatalogue.oup.com/product/9780198570769.do>. I'm sure you'll have much fun doing small molecules in addition to large molecules. We all did. All the best, Navdeep --- On 01.06.20 23:50, Jiyuan Ke wrote: > Hi Everyone, > > I want to crystallize a small organic molecule. I have very limited > experience in small molecule crystallography. I found that the Crystal > Screen HT from the Hampton research is good for both small molecule and > macromolecule crystallization. Plan to set up a sitting drop screen just > like setting up protein crystallization. I don’t know if this is the > proper way to do it. Is the MRC sitting drop 2-well plate (HR3-083) used > for protein crystallization good for small molecule crystallization? Are > there any special plates used for small molecule crystallization? Is > room temperature ok or not? > > For data collection, can I use the beamline for protein crystals to > collect data on small molecule crystals? Larger oscillation angle, > shorter exposure, reduced beam intensity? > > For structure determination, is SHELXL the preferred software for > solving small molecule structures? > > If anyone has experience in small molecule crystallography, please > help. Thanks! > > Best Regards, > > -- > > *Jiyuan Ke, Ph.D.* > > * > * > > Research Investigator > > H3 Biomedicine Inc. > > 300 Technology Square, Floor 5 > > Cambridge, MA 02139 > > Phone: 617-252-3923 > > Email: jiyuan...@h3biomedicine.com <mailto:jiyuan...@h3biomedicine.com> > > Website: www.h3biomedicine.com <http://www.h3biomedicine.com/> > > > > > > > > [This e-mail message may contain privileged, confidential and/or > proprietary information of H3 Biomedicine. If you believe that it has > been sent to you in error, please contact the sender immediately and > delete the message including any attachments, without copying, using, or > distributing any of the information contained therein. This e-mail > message should not be interpreted to include a digital or electronic > signature that can be used to authenticate an agreement, contract or > other legal document, nor to reflect an intention to be bound to any > legally-binding agreement or contract.] > > ------------------------------------------------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
