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Dear Debajyoti, It is likely that you have crystallized a contaminant in your preparation. You can put the unit cell into BALBES which will tell you if the PDB has seen it before. Another thing is to submit your polyalanine trace to DALI to see if the fold is recognised. James -- Dr. James W. Murray David Phillips Research Fellow Division of Molecular Biosciences Imperial College, LONDON Tel: +44 (0)20 759 48895 ________________________________________ From: CCP4 bulletin board [[log in to unmask]] on behalf of Debajyoti Dutta [[log in to unmask]] Sent: Monday, June 11, 2012 5:36 AM To: [log in to unmask] Subject: [ccp4bb] SAD data is enough Hi All, I have collected a Selenium-SAD dataset at peak intensity (Resol 2.3A). The heavy atoms have been searched using ShelxD and polyalanine chains have been built using ShelxE. However, when I am trying to fit the sequence using Autobuild, it is showing sequence error (warning: Possibly docked sequence is partially incorrect) and the programme is getting terminated. Manually also, we are facing difficulty in matching the sequence with the electron density. Please help The DNA sequencing was done. I have checked the DNA sequence and it is perfectly matching with the insert. Please suggest Thank you in advance Sincerely Debajyoti [http://sigads.rediff.com/RealMedia/ads/adstream_nx.ads/www.rediffmail.com/signatureline.htm@Middle]<http://sigads.rediff.com/RealMedia/ads/click_nx.ads/www.rediffmail.com/signatureline.htm@Middle?> Follow Rediff Deal ho jaye!<http://track.rediff.com/click?url=___http://dealhojaye.rediff.com?sc_cid=rediffmailsignature___&cmp=signature&lnk=rediffmailsignature&newservice=deals> to get exciting offers in your city everyday.