the density near ASP looks like a slight alternate conformation (see pair of negative and positive diff-dens). The water might have an occupancy smaller than 1 to accommodate the alt-conf.
Best Marius ________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Elspeth Garman <0000cc32488f9338-dmarc-requ...@jiscmail.ac.uk> Sent: Friday, March 7, 2025 10:30 AM To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb] Unexplained electron density Is it big enough to be a trapped CO_2 molecule from partial decarboxylation of the Asp? Best wishes Elspeth From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Jakub Švéda Sent: 07 March 2025 16:11 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Unexplained electron density Dear all, I have unexplained electron density at Asp and Tyr (pictures attached) and I don't know what it could be. Do you have any ideas? Thank you and I wish you all a pleasant weekend. Best, Jakub Švéda ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## 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/
