Not very elegant way of doing what you want but as a last resort I used distance criteria. P-O distance is 1.6A, S-O distance is 1.4A. Provided your coordinate error is in the range of 0.1A you may cautiously suggest one or the other. However, it may be impossible to prove that what you see is not a mixture of both.
Regards, Vaheh Oganesyan, PhD www.medimmune.com -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of David Schuller Sent: Tuesday, July 31, 2018 9:39 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Sulphate or phosphate? How can one distinguish between a sulphate or phosphate in an electron density map? Both are present in the mother liquor, and resolution is in the range of 1.75 - 2.25 A -- ======================================================================= All Things Serve the Beam ======================================================================= David J. Schuller modern man in a post-modern world MacCHESS, Cornell University schul...@cornell.edu ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://clicktime.symantec.com/a/1/Nqayc8hNA0CibV9rgPxsew5F9lJ-EFZMtnajSeJqGcA=?d=b3aSQTOaO64IQYsIn3CPYoKfOtDU4_-vH5Rx0GJU-o2i1olOuKzm571t92z342L8Vpe77PS6t68Hj6Erw8iU1gbK0zZfvQxt-2WsDy8HrYF-F23OaYvTj0tK3QKs9smFywd5DnI_EVqqoa0eE5Si6HBDs-Z-_T_2TTlIj2IT_1wim9OaZGf_f0mzGwgp2u98gM14ADWl8LeFmpBz8YS_gv56eMGDZJ_3JeAKra_jTexwqzrVVSDtDe4HlOhZ0ZG8-BAhAJQerHpMBuSWwY9B96V-NVkbnYo6Yl8LRN2yMdboNhGLA2-6i2rI-RU4pmsjgNp-VmO_UwlHliLTmwaXWCFThjBc3MS6TsMq1fgHk3O5r6DgPZDFlvBUbRCyHJ0y&u=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2Fwebadmin%3FSUBED1%3DCCP4BB%26A%3D1 To the extent this electronic communication or any of its attachments contain information that is not in the public domain, such information is considered by MedImmune to be confidential and proprietary. This communication is expected to be read and/or used only by the individual(s) for whom it is intended. If you have received this electronic communication in error, please reply to the sender advising of the error in transmission and delete the original message and any accompanying documents from your system immediately, without copying, reviewing or otherwise using them for any purpose. Thank you for your cooperation. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
