Dear all,
I am refining two structures which have in the active site a ligand
containing a covalent bond between a carbon and a chlorine atom.
I collected the data at APS, SERCAT ID-22.
Because of radiation damage I tried different occupancy values for the
chlorine atom and structure number #1
for my compounds.
Good luck!
Thierry
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Sabini, Elisabetta
Sent: Thursday, November 29, 2007 04:41 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Finding Chlorine =)
Dear all,
I am refining two
as a structure that
have in its active site a ligand with a chlorineeven if it is really
not there? ...but it was there during crystal growth...?
Thanks again,
Eli
PS: I will read your answers tomorrow! GRAZIE GRAZIE!!!
On Thu, November 29, 2007 5:04 pm, Sabini, Elisabetta wrote:
Thank you
Dear all,
I have a structure at 1.6A. At the end of refinement the Rfactor and Rfree
are quite high (23/29.6%). Here are some info:
Morphology of crystals: large but thin plates (150 x 400 x 20 microns)
Number of residues: 160 (2 x 80); 103 water molecules
Space group: C2
Unit Cell: 47.75
