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

[ccp4bb] Problem in refining the complex structure with REFMAC
- 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: X-ray crystallography/molecular modeling group-leader position in Hannover Medical School
From: Roman Fedorov fedorov {- at -} BPC {- dot -} MH-HANNOVER {- dot -} DE
Date: 2007-06-14		Next message:
Subject: REMINDER - Murnau conference on STRUCTURAL BIOLOGY OF DISEASE MECHANISMS
From: "Manfred S {- dot -} Weiss" msweiss {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-06-14


Subject: Problem in refining the complex structure with REFMAC
From: Sampath Natarajan nsampath76 {- at -} YAHOO {- dot -} COM
Date: 2007-06-14

Dear All,

I have a problem while refining (using refmac5) the structure with ligand in 2.5A resolution data.

After restraint refmac refinement, I tried to fit the ligand molecule into the difference map. For this purpose, I created the substrate lib file using a pdb file from PRODRG in the ccp4 sketcher and used the coot for fitting the ligand.

Real space refinement works well after inserting the ligand into the difference map. After real space refinement, I tried the refmac restraint refinement with ligand. But the entire ligand molecule is coming out from the electron density after refinement. But I didn’t get any warning in the refmac log file after refinement and it got terminated normally. Kindly let me know the real problem if anybody knows. It would be great to finish my structure refinement.

Thanks in Advance

Cheers,
Sampath





---------------------------------
Need a vacation? Get great deals to amazing places on Yahoo! Travel.

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: X-ray crystallography/molecular modeling group-leader position in Hannover Medical School
From: Roman Fedorov fedorov {- at -} BPC {- dot -} MH-HANNOVER {- dot -} DE
Date: 2007-06-14		Next message:
Subject: REMINDER - Murnau conference on STRUCTURAL BIOLOGY OF DISEASE MECHANISMS
From: "Manfred S {- dot -} Weiss" msweiss {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-06-14
ProteinCrystallography.org: Copyright 2006-2010 by Quid United Ltd