Re: [ccp4bb] Lithium versus Sodium

2012-01-13 Thread Armando Albert
Dear Matt, We were working with Hal2p a lithium inhibited Ins-mono-PPase like protein 10 years ago. We had good biochemistry showing that lithium replaced mg at the active site. We grow crystals in presence of Li and we worked with 1.6 A diffraction data. Unfortunatelly we did not see any el

Re: [ccp4bb] Lithium versus Sodium

2012-01-12 Thread Matthew Franklin
Hi Ed - There was a peak in the difference maps, as I recall. I believe it initially got built as a water, but that proved to be too many electrons, giving a negative peak. I removed the water, but it was clear that something needed to be there, at which point I started casting about for al

Re: [ccp4bb] Lithium versus Sodium

2012-01-12 Thread Ed Pozharski
Matt, thank you, this is an excellent summary. One question remains - the lithium peak should be, afaiu, much lower than the water/sodium. Was there a peak in difference map or was placement based on identifying something that looked like a coordination site? Cheers, Ed. On Thu, 2012-01-12 at

Re: [ccp4bb] Lithium versus Sodium

2012-01-12 Thread Matthew Franklin
On 1/12/12 9:42 AM, Ed Pozharski wrote: On Thu, 2012-01-12 at 09:52 +, Patel, Joe wrote: Do you have ultra-high resolution? Something I did not…. Are there many examples in the pdb of proteins with Li+ refined? http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl?pdbcode=n

Re: [ccp4bb] Lithium versus Sodium

2012-01-12 Thread Ed Pozharski
On Thu, 2012-01-12 at 09:52 +, Patel, Joe wrote: > Do you have ultra-high resolution? Something I did not…. Are there > many examples in the pdb of proteins with Li+ refined? http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl?pdbcode=n/a&template=het2pdb.html¶m1=_LI 39 in

Re: [ccp4bb] Lithium versus Sodium

2012-01-12 Thread Patel, Joe
.com <mailto:name.surn...@astrazeneca.com> P Please consider the environment before printing this e-mail From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Scott Pegan Sent: 12 January 2012 06:10 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Lithium versus Sodium Hey

[ccp4bb] Lithium versus Sodium

2012-01-11 Thread Scott Pegan
Hey all, Does anyone know of a good article that deals with differentiating between a lithium ion and sodium ion for density in a X-ray structures? Scott -- Scott D. Pegan, Ph.D. Assistant Professor Chemistry & Biochemistry University of Denver Office: 303 871 2533 Fax: 303 871 2254