The data may be telling you something. Less than 100% occupancy is not unheard of. Joe Becker
________________________________ From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of michael nelson Sent: Friday, January 05, 2007 1:55 PM To: ccp4bb@dl.ac.uk Subject: [ccp4bb]: ligand refinement Hi,all: During water-tidy, I found a big bulb of density in my active site(only a bit in 2Fo-Fc map but quite big in Fo-Fc above 3.5sigma level).This looks pretty much like my ligand. Then I put it in and start refinement, but the program always give a high B-factor for this ligand(above 100).From the difference map, I'm convinced I have the ligand there but how to get it refined with a reasonable B-factor?Please advise. Mike __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com ------------------------------------------------------------------------------ Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), and/or its affiliates (which may be known outside the United States as Merck Frosst, Merck Sharp & Dohme or MSD and in Japan, as Banyu - direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system. ------------------------------------------------------------------------------
