Re: [ccp4bb] Low resolution structure determination advice

2011-09-05 Thread Eleanor Dodson
Are thw Se SAd and native data isomorphous - because if so you can just cad the data sets together - generate phases for the Se set, then use those as a starting set for the native data to phase extend. Parrot is the more up to date version of DM which does this in the GUI. The AutoSHARP will

Re: [ccp4bb] Low resolution structure determination advice

2011-09-02 Thread Tanner, John J.
th that, you might be able to combine phases from this procedure with the Selenium SAD phases, as already suggested. Kianoush --- On Thu, 9/1/11, Basudeb Bhattacharyya mailto:bbhattach...@wisc.edu>> wrote: From: Basudeb Bhattacharyya mailto:bbhattach...@wisc.edu>> Subject:

Re: [ccp4bb] Low resolution structure determination advice

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

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 partia

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 (averagi

[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