Sure, it follows attached. I am also attaching the pointless log and IDXREF.LP from xds.
-----Mensagem original----- De: Tim Grüne <tim.gru...@univie.ac.at> Enviada em: quinta-feira, 18 de julho de 2019 13:06 Para: Mario Tyago Murakami <mario.murak...@lnbr.cnpem.br> Cc: CCP4BB@jiscmail.ac.uk Assunto: Re: [ccp4bb] Se-SAD phasing Dear Mario, you may want to post the shelxc log file and the shelxd input file to get a bit more quantitative advice with shelxd. For the spacegroup, it is worth reading the pointless log file carefully about how many expected absences you have per screw axis, although pointless is quite careful and does not suggest a screw axes when the respective axis was not recorded. From your CCanom, you could cut your resolution to 2.8A for shelxd (your native data probably goes to 2.0'ish A, by the way). Best regards, Tim Am 18.07.2019 16:19, schrieb Mario Tyago Murakami: > Dear all, > > I am trying to solve the phases of the following SeMet data, but so > far unsuccessfully. Suggestions are very welcome. Please see below > some details about the case. > > The statistics below is from a merged data from different kappas of > the same crystal to increase redundancy. We used the fixed energy > 12675 eV since the fluorescence detector was not working at the used > beamline to get best energy values for this crystal. > > Xtriage did not indicate any crystallographic pathology, except > moderate anisotropy. > > The unit cells parameters are 118.72 151.82 167.05 90.000 90.000 > 90.000 (P212121) containing from 8 to 12 molecules in the asymmetric > unit. The protein has ~28.5 kDa and 10 Met residues, excluding those > from the N- and C-termini, probably with low occupancy. Thus, > something 80 to 120 scatterers are expected. > > Phenix_anomalous_signal indicates a probability of 99% to solve it and > the anomalous signal is theoretically in a very good range. > > I have tried SHELXD with different resolutions and number of sites. I > have also used Hyss. But all attempts failed. > > Thanks in advance > > Mario > > Aviso Legal: Esta mensagem e seus anexos podem conter informações > confidenciais e/ou de uso restrito. Observe atentamente seu conteúdo e > considere eventual consulta ao remetente antes de copiá-la, divulgá-la > ou distribuí-la. Se você recebeu esta mensagem por engano, por favor > avise o remetente e apague-a imediatamente. > > Disclaimer: This email and its attachments may contain confidential > and/or privileged information. Observe its content carefully and > consider possible querying to the sender before copying, disclosing or > distributing it. If you have received this email by mistake, please > notify the sender and delete it immediately. > > ------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
sad_shelxc.log
Description: sad_shelxc.log
pointless.log
Description: pointless.log
IDXREF.LP
Description: IDXREF.LP
