P.S. Apologies for a misattribution: it was Pedro Matias, not Pietro Roversi, who directed you towards the SHARP/autoSHARP package.
-- On Sat, Jul 11, 2026 at 02:55:39PM +0100, Gerard Bricogne wrote: > Dear Kai, > > What Artem refers to as "Bricogne's phasing suite" is the same > thing as the SHARP/autoSHARP package that Pietro Roversi was pointing > you towards (thank you Pietro and Artem :-) ). > > If things don't work out, the problem is more likely to reside in > the SAD data themselves rather than in choosing the right program. > There are many ways of doing bad SAD experiments. We would be happy to > help you (off-line) determine whether this is the case, and to advise > you on how to do a better experiment. > > > With best wishes, > > Gerard. > > -- > On Sat, Jul 11, 2026 at 08:59:15AM -0400, Artem Evdokimov wrote: > > I assume modeling with AF or Boltz does not provide useful model? > > > > You can try cross mapping Met residue positions from model on to your xray, > > first. > > > > Then try Bricogne's phasing suite and Solve, sometimes Shelx is not the > > best :) > > > > Artem > > > > - Cosmic Cats approve of this message > > > > On Sat, Jul 11, 2026, 08:55 PIETRO ROVERSI < > > [email protected]> wrote: > > > > > Dear Kai, > > > > > > How many KDaltons in the asymmetric unit? > > > > > > P > > > > > > Dr. Pietro Roversi, PhD > > > Italian National Research Council (CNR) > > > Institute of agricultural biology and biotechnology (IBBA-CNR) > > > Via Bassini 15, 20133 Milano, Italy > > > <https://www.google.com/maps/search/Via+Bassini+15,+20133+Milano,+Italy?entry=gmail&source=g> > > > (ma: ingresso, visite e merci: Alfonso Corti 12) > > > > > > Tel. +39 02 23699428 > > > Mobile +39 351 6800096 > > > Fax: +39 02 23699411 > > > https://ibba.cnr.it/en/staff/pietro-roversi/ > > > > > > Honorary Lecturer at LISCB - Department of Molecular and Cell Biology > > > Leicester University, Lancaster Rd. > > > Leicester LE1 7HB, England, UK > > > Tel. +44 7927 952047 > > > Email: [email protected] > > > URL: > > > https://le.ac.uk/research/institutes/structural-chemical-biology/people > > > ------------------------------ > > > *Da:* CCP4 bulletin board <[email protected]> per conto di > > > [email protected] <[email protected]> > > > *Inviato:* sabato 11 luglio 2026 13:40 > > > *A:* [email protected] <[email protected]> > > > *Oggetto:* [ccp4bb] SAD > > > > > > Dear all, > > > I am currently processing a SAD dataset collected from a Se-Met > > > derivative. According to the matthews_coef calculation in CCP4, there > > > should be 20 heavy atom sites in the asymmetric unit. > > > However, due to the very weak anomalous signal, the occupancy refinement > > > in SHELX shows only one site with an occupancy above 1.0, one site around > > > 0.4, and the remaining 15 sites all converging to approximately 0.3. > > > Given this situation, I would be very grateful for any suggestions on how > > > to obtain reliable initial phases. Are there any specific strategies, > > > software settings, or alternative approaches (e.g., density modification > > > or > > > partial structure refinement) that you would recommend to make the most of > > > this weak signal? > > > Thank you in advance for your time and insights. > > > Best regards, > > > Kai Zhang > > > > > > > > > ------------------------------ > > > > > > 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/ > > ######################################################################## > > 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/ ######################################################################## 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/
