Re: [ccp4bb] phosphate v sulfate

2010-04-10 Thread Jim Pflugrath
__ From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of wtempel Sent: Saturday, April 10, 2010 9:49 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] phosphate v sulfate Dear colleagues, I would like to poll the community on the prevailing practice of distinguishing between pho

Re: [ccp4bb] phosphate v sulfate

2010-04-10 Thread Dhirendra K Simanshu
Hello, Thanks for this interesting poll! I have had similar doubt couple of times in the recent past. I think in the absence of anomalous signal for confirming presence of phosphate or sulphate, I would prefer to assign the electron density to the one which is present in higher concentration in th

[ccp4bb] phosphate v sulfate

2010-04-10 Thread wtempel
Dear colleagues, I would like to poll the community on the prevailing practice of distinguishing between phosphate and sulfate in their structures. Suppose all of the following apply: 1) a well contoured tetrahedral density in your model-phased 2Fo-Fc map in the active site of your kinase or GTPase