Quick navigation: Home   |    Site Map   ||    References   |    Biography   ||    Copyright   |    Other copyright   |    Contact us   |    Advert   |   
 

[ccp4bb] Correct H-bond length in CYS.cif ?

- Protein crystallography

Main steps:

   - Protein purification
   - Crystallisation

Special:

   - Programs for crystallography
   - X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

   - CCP4BB

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Re: The importance of USING our validation tools
From: "Mark J {- dot -} van Raaij" vanraaij {- at -} USC {- dot -} ES
Date: 2007-08-16
Next message:
Subject: Best Practices in Virtual Screening
From: Barry Hardy barry {- dot -} hardy {- at -} TELE2 {- dot -} CH
Date: 2007-08-16


Subject: Correct H-bond length in CYS.cif ?
From: "Juergen J {- dot -} Mueller" jjm {- at -} MDC-BERLIN {- dot -} DE
Date: 2007-08-16

Dear all,
using refmac5 to provide H-atoms for a protein structure the
distance between CYS-CG and HG is defined to 1.34 Ang. in CYS.cif.
That distance has been mentioned by a non-CCP4 program
by
* Poor covalent bond length of 1.33954 for hydrogen atom ....

In an other library-file CSH.cif the same distance is defined to 1.1 Ang.
What is the correct one?
Could you comment on this?
(Of course I know hydrogens will not be refined ...).
Thank you,
Juergen

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Re: The importance of USING our validation tools
From: "Mark J {- dot -} van Raaij" vanraaij {- at -} USC {- dot -} ES
Date: 2007-08-16
Next message:
Subject: Best Practices in Virtual Screening
From: Barry Hardy barry {- dot -} hardy {- at -} TELE2 {- dot -} CH
Date: 2007-08-16



ProteinCrystallography.org: Copyright 2006-2010 by Quid United Ltd