Hi Scott, I've used AF2 order/disorder prediction (based up pLDDT score) to decided upon construct boundaries. We turned a non-expressing construct into a reasonably well expressing construct based on the AF2 prediction.
It's part of my construct design process now. HTH, Dave -- Dr David C. Briggs Senior Laboratory Research Scientist Signalling and Structural Biology Lab The Francis Crick Institute London, UK == about.me/david_briggs ________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Scott Classen <sclas...@lbl.gov> Sent: Monday, April 4, 2022 8:06:38 PM To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] Has anyone successfully used RoseTTAFold or AF2 to guide crystallization? External Sender: Use caution. Hello CCP4, Has anyone successfully used the available ML/AI protein folding tools to guide crystallization construct design? Maybe you had a protein or domain that was resistant to crystallization efforts and the folding algorithms predicted some loops or termini that were disordered? Then you trimmed or modified them in some way to aid in crystallization? Or if you haven’t done this yourself, are you aware of anyone who has? Thanks, Scott ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Scott Classen, Ph.D. ALS-ENABLE TomAlberTron Beamline 8.3.1 SIBYLS Beamline 12.3.1 Advanced Light Source Lawrence Berkeley National Laboratory 1 Cyclotron Rd MS6R2100 Berkeley, CA 94720 mobile 510.206.4418 desk 510.495.2697 beamline 510.495.2134 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1<https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7C%7C103751dae7354cae203408da166e4c3d%7C4eed7807ebad415aa7a99170947f4eae%7C0%7C1%7C637846960235320373%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=nCktCLks%2FamL94hkPtR35IEak0gE608EjHuW3cPF6II%3D&reserved=0> The Francis Crick Institute Limited is a registered charity in England and Wales no. 1140062 and a company registered in England and Wales no. 06885462, with its registered office at 1 Midland Road London NW1 1AT ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?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/
