[ccp4bb] Molecular Replacement at low resolution

2008-04-17 Thread Junyu Xiao
Hi, Does anyone have experience with molecular replacement at low resolution? I have a 6Å dataset with probably 3-4 monomers per ASU. Phaser doesn't seem to give me clear results. Can I get some advice? Any comment will be appreciated. Thanks a lot, Junyu ===

Re: [ccp4bb] Molecular replacement of a multidomain protein

2008-03-07 Thread Meyer, Peter
NCS. Good luck, Pete -Original Message- From: CCP4 bulletin board on behalf of Anjali Mehta Sent: Thu 3/6/2008 7:47 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Molecular replacement of a multidomain protein Dear All, I am working with a Bifunctional protein of molecular weight ~60 kD

Re: [ccp4bb] Molecular replacement of a multidomain protein

2008-03-07 Thread Roger Rowlett
EPMR (now Open-EPMR, http://www.epmr.info) is an excellent alternative for finding difficult, high-dimensional MR solutions. Experiment with various resolution limits. We solved an asymmetric unit with 3 difficult-to-place dimers of low sequence homology by gradually increasing the high-resolut

Re: [ccp4bb] Molecular replacement of a multidomain protein

2008-03-07 Thread Lucas Bleicher
I've had a very good experience with MrBump: http://www.ccp4.ac.uk/MrBUMP/ Not only because of the program itself, which was able to find an unexpected template for the problematic chain (the first one was straightforward in Phaser), but also because of great support from Martyn & Ron. It's defin

[ccp4bb] Molecular replacement of a multidomain protein

2008-03-06 Thread Anjali Mehta
Dear All, I am working with a Bifunctional protein of molecular weight ~60 kDa. I have a 3.3 angstrom native dataset. The matthews number show there are 6 molecules in the asymmetric unit. The structures of the individual domains are already known from prokaryotes. The sequence identity with the k

Re: [ccp4bb] Molecular replacement

2007-09-21 Thread Raji Edayathumangalam
The answer to your question is called Phaser. Using Phaser, you can input multiple search models in one search routine to look for solutions. You should read the online manual and tutorials, if you are not already familiar with Phaser. You can also 'modify' or appropriately 'trim' your search

[ccp4bb] Molecular replacement

2007-09-20 Thread sekar
Dear All, I wanted to solve one of my new structures by molecular replacement. I got three short search motifs from three different structures available in the PDB. My question is, how do I use all the search models to solve the structure. With by best regards, Sekar (\_/) (='.'=) (

Re: [ccp4bb] Molecular Replacement of a Known Anomalous Substructure

2007-05-22 Thread Murray, James W
Dear All, The authors of the following paper used molecular replacement of the substructure to locate the heavy atoms. The known 11-fold symmetry meant that the heavy atoms had to be in a circle - molecular replacement with circles of different radii did the trick. Antson et al. Nature, Vol

[ccp4bb] Molecular Replacement of a Known Anomalous Substructure

2007-05-21 Thread Jacob Keller
Many times when we search for anomalous scatterers, we have some a priori info about their relative positions. For example, many proteins have sequence-adjacent methionines, which tether the anomalous scattering positions to certain distances. Again, there are many heavy atom derivatives which have

Re: [ccp4bb] Molecular Replacement issues with a WD-40 7-bladed beta propeller

2007-05-11 Thread Eleanor Dodson
You dont say how close your sequence ID is for your new protein and the model. It is often very hard to kick start refinement with low homology And what about internal symmetry Is there a Non crystallographic translation? Does the self rotation function show a relationship between the two mole

Re: [ccp4bb] Molecular Replacement issues with a WD-40 7-bladed beta propeller

2007-05-11 Thread Matthew . Franklin
CCP4 bulletin board wrote on 05/10/2007 09:31:59 PM: > Hello, > I'm an undergraduate and recently crystallized and obtained 2.9A > diffraction data for a protein which is predicted to fold into a WD40 > 7-bladed beta-propeller structure (which has been crudely verified by > cryo-EM by another lab

Re: [ccp4bb] Molecular Replacement issues with a WD-40 7-bladed beta propeller

2007-05-11 Thread Dirk Kostrewa
Hello Scott, hmmm - it is quite difficult to do a good analysis of your problem, remotely. You've tried the enantiomorphic space group I4(3), just to be sure? In principle, the molecular replacement solution given by Phaser sounds good, but this is no proof of whether it's correct. What sounds

[ccp4bb] Molecular Replacement issues with a WD-40 7-bladed beta propeller

2007-05-10 Thread Scott Coyle
Hello, I'm an undergraduate and recently crystallized and obtained 2.9A diffraction data for a protein which is predicted to fold into a WD40 7-bladed beta-propeller structure (which has been crudely verified by cryo-EM by another lab). The space group appears to be I4(1) with unit cell pa

[ccp4bb] Molecular replacement and refinement trouble

2007-02-05 Thread Jenny
Hi, Dear all, Firstly ,I'd like to thank all the people for their kind help, especially Miguel, Bernie ,Mark, Moody, Eleanor, Eaton , Peter and lots of others Without your help, I wouldn't make it this far. Secondly, I'd like to share some of the experiences. We had a hard time trying to do

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