Re: [ccp4bb] occupancy of Metal

[George Kontopidis]

What is the mean B-factor of atoms that making interactions with each metal
ion?

Use those means values as  B-factors for each Mg2+ ion respectively.

Adjust manually the occupancies, in order  the B-factors for each Mg2+ to
stay after refinement close to the above values.

 

George

 

From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Anirudha Dutta
Sent: Sunday, March 23, 2014 6:38 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] occupancy of Metal

 

Dear all

In the structure I am working has three Mg2+ ions having B-factors of 36.6,
8.6 and 20.3 Å2 with occupancy of one. The mean B-factor and resolution are
22.65 Å2 and 2.5 Å respectively. I want to adjust the occupancy of the Mg
(with 36.6 Å2) manually. Please suggest what could be the final B-factor for
that Mg, based on which I can assign the occupancy.

Thanks in advance

 

Anirudha 

 

[ccp4bb] Still a few places for the 8th International Workshop on X-ray Radiation Damage to Biological Crystalline Samples, April 10-12 2014, Hamburg

[Elspeth Garman]

The 8th International Workshop on X-ray Radiation Damage to Biological 
Crystalline Samples (RD8) will be held at the EMBL and DESY, Hamburg, Germany  
from April 10th (13:00) to April 12th (13:00) 2014.

There are still a few places for this Workshop and the deadline for Poster 
Abstracts has been EXTENDED to April 1st.

The full programme can be found at: 
http://www.rd-eight.org/RD8-01/programme/index.html

On-line registration is at: http://www.rd-eight.org/

Registration is now Euro 180.  All registration is through the on-line site.

This series of workshops was originally concerned with the effects of radiation 
damage during investigation of protein structures by X-ray crystallography. 
Other techniques of structural biology are now being included to ensure greater 
information exchange. The workshop will therefore be of interest to all those 
using ionising radiation to examine biological structures at the molecular 
level.

The sessions are:

Session 1 Basic Understanding of Radiation Damage Mechanisms 

Session 2 Practical Aspects of Reducing Radiation Damage 

Session 3 Biological studies affected by Radiation Damage 

Session 4 Damage at New Sources - XFEL and new synchrotrons

 Session 5 Radiation Damage in Complementary Fields 

Session 6 Additional Aspects of Radiation Damage 


The organizers are: Elspeth Garman, Martin Weik, Gleb Bourenkov, Henry Chapman, 
Alke Meents, Sean McSweeney, Colin Nave, Arwen Pearson, Raimond Ravelli, Gerd 
Rosenbaum, Thomas Schneider and Soichi Wakatsuki.
---


  Professor Elspeth F. Garman,
  Director of Systems Biology Programme, Doctoral Training Centre
  Tutor for Graduates, Brasenose College 

Postal address:
  Laboratory of Molecular Biophysics,
  Department of Biochemistry,
  University of Oxford,  Tel: (44)-1865-613297
  South Parks Road,  FAX: (44)-1865-613201
  OXFORD, OX1 3QU, U.K. E-mail: elspeth.gar...@bioch.ox.ac.uk 
www.bioch.ox.ac.uk/garmangroup
--
The University of Oxford's Doctoral Training Centre has three available 
programmes for October 2014 entry: Life Sciences Interface Doctoral Training 
Centre, Systems Biology Doctoral Training Centre and Systems Approaches to 
Biomedical Science Industrial Doctorate Centre.
To find out more, visit: http://www.dtc.ox.ac.uk/