waters in
crystal structures vs NMR structures?
Paul Kraft
--- On Tue, 6/17/08, Sanishvili, Ruslan [EMAIL PROTECTED] wrote:
From: Sanishvili, Ruslan [EMAIL PROTECTED]
Subject: Re: [ccp4bb] Structural importance of ordered water?
To: CCP4BB@JISCMAIL.AC.UK
Date: Tuesday, June 17, 2008, 5:16 PM
Hi
On Wed, 18 Jun 2008, Paul Kraft wrote:
Are there any reports of the comparison of the number of bound waters
in crystal structures vs NMR structures? Paul Kraft
this is discussed inter alia in :
Mattos, C. Ringe, D., Solvent Structure, in International Tables for
Crystallography (Rossman,
Title: Re: [ccp4bb] Fw: Re: [ccp4bb] Structural importance of ordered water?
Some work has been done on collagen regardingits hydration structure:
(crystal data) Bella,J.Brodsky, B. Berman, H.M.. Structure (3), 893-906 1995
(NMR) Peto, S. Gillis, P. Henri, V.P.. Biophys J. (57), 71-84, 1990
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Sanishvili, Ruslan
Sent: 17 June 2008 22:17
To: Nave, C (Colin); CCP4BB@JISCMAIL.AC.UK
Cc: Richard Gillilan
Subject: RE: [ccp4bb] Structural importance of ordered water?
Surely protein-water
Direct hydrogen bonds between sidechains are obviously important to
structural stability in proteins. From time to time I see cases of
water-mediated bonds in which a single water molecule seems to play
an important role (sometimes taking the place of a missing ligand
atom in an apo
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Richard Gillilan
Sent: 17 June 2008 20:05
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Structural importance of ordered water?
Direct hydrogen bonds between sidechains are obviously important to
structural stability
more easily than I can.
Colin
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Richard Gillilan
Sent: 17 June 2008 20:05
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Structural importance of ordered water?
Direct hydrogen bonds between sidechains
Direct hydrogen bonds between sidechains are obviously important to
structural stability in proteins. From time to time I see cases of
water-mediated bonds in which a single water molecule seems to play
an important role (sometimes taking the place of a missing ligand
atom in an apo structure,
