Re: [ccp4bb] Low resolution structure determination advice

2011-09-02 Thread Tanner, John J.
Subject: [ccp4bb] Low resolution structure determination advice To: mailto:CCP4BB@JISCMAIL.AC.UK CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK Date: Thursday, September 1, 2011, 9:31 AM Dear all, We're looking for some advice about how to proceed with a structure we're working on. Our

[ccp4bb] Low resolution structure determination advice

2011-09-01 Thread Basudeb Bhattacharyya
Dear all, We're looking for some advice about how to proceed with a structure we're working on.  Our protein is 750 amino acids and naturally binds zinc.  We have a SeMet data set that goes down to 3.7 angstroms.  4 of 8 selenium sites are ordered and visible in addition to our zincs and we've

Re: [ccp4bb] Low resolution structure determination advice

2011-09-01 Thread Pete Meyer
Hi, Depending on how many zn sites you have, you may be able to do zn-mad for your native crystals. You don't mention if you've tried combining your various sources of phase information; if not, it's worth looking into. You may also want to look into various multi-crystal techniques

Re: [ccp4bb] Low resolution structure determination advice

2011-09-01 Thread Bosch, Juergen
How about phase extension using DM, sure you say you only have one mol per asu but it might still be worth trying various approaches of solvent flattening/flipping. Don't know what you used to detect your sites and refine them, but it also might be worth sticking them into Sharp with your

Re: [ccp4bb] Low resolution structure determination advice

2011-09-01 Thread Kianoush Sadre-Bazzaz
to combine phases from this procedure with the Selenium SAD phases, as already suggested. Kianoush --- On Thu, 9/1/11, Basudeb Bhattacharyya bbhattach...@wisc.edu wrote: From: Basudeb Bhattacharyya bbhattach...@wisc.edu Subject: [ccp4bb] Low resolution structure determination advice To: CCP4BB