Re: [ccp4bb] metal ion coordination

2014-04-23 Thread mark Mayer
To find Cl its worth looking at anomalous maps, especially for home source data, since even with partial occupancy Cl is easily located. Also, for well ordered Cl ions, B-factor will often refine to lower value than coordinating atoms when its incorrectly refined as water. Finally, in a subset o

Re: [ccp4bb] metal ion coordination

2014-04-23 Thread Nat Echols
On Wed, Apr 23, 2014 at 6:15 AM, wrote: > This discussion is very informative to fresher like me. Moreover, with > most of the reading suggested in this discussion I read about the > positively charged metal ions like Na, Ca, Mg and many more. I am curious > about Cl in specific which could occu

Re: [ccp4bb] metal ion coordination

2014-04-23 Thread
Hi evey This discussion is very informative to fresher like me. Moreover, with most of the reading suggested in this discussion I read about the positively charged metal ions like Na, Ca, Mg and many more. I am curious about Cl in specific which could occur as a result of salt used in different

Re: [ccp4bb] metal ion coordination

2014-04-17 Thread Jrh
Dear Faisal, When scrutinising such distances do be aware of the possibility of false precision in the estimates; see eg http://dx.doi.org/10.1107/S2052252513031485 Best wishes, John Prof John R Helliwell DSc On 17 Apr 2014, at 21:13, Faisal Tarique wrote: > Dear all > > Can anybody ple

Re: [ccp4bb] metal ion coordination

2014-04-17 Thread Roger Rowlett
See below. Ceeers, ___ Roger S. Rowlett Gordon & Dorothy Kline Professor Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@colgate.edu On 4/17/2014 4:13 PM,

Re: [ccp4bb] metal ion coordination

2014-04-17 Thread Thomas Edwards
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of David Briggs Sent: Thursday, April 17, 2014 1:19 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] metal ion coordination Hi Faisal, Take a look at Marjorie Harding's website http://tanna.bch.ed.ac.uk Loads of informa

Re: [ccp4bb] metal ion coordination

2014-04-17 Thread Jim Pflugrath
[faisaltari...@gmail.com] Sent: Thursday, April 17, 2014 3:13 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] metal ion coordination Dear all Can anybody please explain what is the classical metal ion coordination for Mg2+, Ca+ and Na+ with Oxygen atom and the average distance with these metal ions..does

Re: [ccp4bb] metal ion coordination

2014-04-17 Thread David Briggs
Hi Faisal, Take a look at Marjorie Harding's website http://tanna.bch.ed.ac.uk Loads of information there. Hth, Dave Dr David C Briggs PhD http://about.me/david_briggs On 17 Apr 2014 21:16, "Faisal Tarique" wrote: > Dear all > > Can anybody please explain what is the classical metal ion coo