Re: [ccp4bb] [phenixbb] how to cut off side chain from a model

2011-02-14 Thread Tim Gruene
Hello crystallogrphy, Using pdbset with the card EXCLUDE SIDE instead of PICK N O CA C CB would have the same effect. Tim On Fri, Feb 11, 2011 at 06:14:53PM -0500, Ed Pozharski wrote: --- pdbset xyzin foo.pdb xyzout foofoo.pdb eof PICK N O CA C CB eof --- should do it On Fri,

Re: [ccp4bb] Stand-alone versoin refmac 5.2 needed

2011-02-14 Thread Tim Gruene
Dear Hailiang, you could dig through ftp://ftp.ccp4.ac.uk/ccp4/ to find the ccp4-version which came with Refmac5.2 and compile it. Cheers, Tim On Sun, Feb 13, 2011 at 02:11:00AM -0500, Hailiang Zhang wrote: Hi there: I need a stand-alone excutable file of REFMAC of version 5.2. Just check

[ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Soisson, Stephen M
Hi there, Was recently looking at a structure of an enzyme with AMP-PNP added to the crystallization mix, and all I see is density for ADP. I was wondering if hydrolysis of AMP-PNP to ADP is relatively common - either as a result of extended time in crystallization or exposure of the resultant

Re: [ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Young-Jin Cho
Hi Steve, With my experience, it is (very) common to see AMPPNP is hydrolyzed to AMPPN (supposedly) with my protein. Although the literature often reported AMPPNP as a stable ATP mimic, such a luck wasn't true with my case, maybe same as you. If you go to Sigma website where I purchased, it may

[ccp4bb] Postdoctoral position available at the Noble Foundation

2011-02-14 Thread Wang, Xiaoqiang
A Postdoctoral position is available in the Structural Biology Laboratory in the Plant Biology Division at the Samuel Roberts Noble Foundation, Ardmore, Oklahoma, USA, to study structures of proteins involved in natural product biosynthesis, nutrient uptake, and gene regulation by using

[ccp4bb] Model Building: continuous update of distances as fragment moved

2011-02-14 Thread Paul McLaughlin
In doing some model building I want to move a domain of a protein manually, as a rigid body, and see in real time continuous updates of some distances from points on the domain to the rest of the protein (we have cross linking data). I dimly remember being able to do with this O,at least a

Re: [ccp4bb] Model Building: continuous update of distances as fragment moved

2011-02-14 Thread Andrew T. Torelli
Hi Paul, I used to use the following text to create a custom menu that I would load into O (i.e. as a .omac file). The command I think you are looking for is trig_refresh. Once you defined a distance and/or angle, activate the trig_refresh and then as you move atoms/pieces around,

Re: [ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Derek Logan
Hi Steve, Funnily enough I just read the following paper today, which describes exactly this phenomenon: http://www.ncbi.nlm.nih.gov/pubmed/21093442 Is AMPPCP as sensitive to acid conditions? I would suspect not. Best wishes Derek

Re: [ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Prince, D Bryan
Hello Steve, You can also check out this paper: Bystrom, Pettigrew, Remington and Branchaud (1997) Bioorganic Medicinal Chemistry Letters, Vol 7 No 20 pp2613-2616. It describes the creation of AMPPCF2P, which I had opportunity to use a few years back and it worked great! Good luck, Bryan From:

[ccp4bb] Postdoctoral position in protein crystallography

2011-02-14 Thread jie liu
A postdoctoral position in protein crystallography is available in Dr. Min Lu’s lab at Public Health Research Institute Center, New Jersey Medical School, University of Medicine and Dentistry of New Jersey, Newark, NJ. The research mainly focuses on the three-dimensional structures and

Re: [ccp4bb] Crystals that fly around a drop until they land and grow.

2011-02-14 Thread Matthew Franklin
Hi Patrick - Just a thought: in a drop that's still equilibrating (i.e. one that's actively nucleating/growing crystals), there will be convection currents, caused by water diffusion out of the drop, protein switching from solution to solid phase, temperature differences, etc. These currents

Re: [ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Martin Picard
My five eurocents to the discussion ... AMPPNP can also be specifically hydrolyzed by Serca1a, the Sarcoplasmic Reticulum Ca2+-ATPase. Such cleavage was proven to be calcium-dependent meaning that AMPPNP is used by the ATPase as a genuine substrate although with a very slow kinetics compared to

Re: [ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Matthew Chu
Is it possible that the phosphates are just disordered rather than being cleaved? It's always the case for inactive kinase-ATP or AMPPNP complexes that the phosphates are not stabilized by Mg2+ or the residues in the binding pocket and hence they become disordered and are not seen in the electron

[ccp4bb] Fwd: [ccp4bb] AMP-PNP Hydrolysis

2011-02-14 Thread Charles W. Carter, Jr
Once again, I've sent off a message only to one person that was intended for the BB. Begin forwarded message: From: Charles W. Carter, Jr car...@med.unc.edu Date: February 14, 2011 6:23:16 PM EST To: Martin Picard martin.picard...@gmail.com Subject: Re: [ccp4bb] AMP-PNP Hydrolysis I take

[ccp4bb] oxidation of selenomethinone in stored pellet.

2011-02-14 Thread Ravindra Makde
Ravindra D. Makde Scientific Officer E High Pressure Synchrotron Radiation Physics Division Bhabha Atomic Research Centre, Trombay, Mumbai, India. Tel: +91-22-25506754 (Res.), The journey of a thousand miles must begin with a single step - Chinese proverb

[ccp4bb] oxidation of selenomethinone in stored pellet

2011-02-14 Thread Ravindra Makde
Hi all, I apologize to all of you for my previous blank posting at CCP4BB; It happened accidently. I would appreciate your comments on oxidation of selenomethinone in stored pellet 1.How long one can store Seleno-met expressed protein in bacterial pellet at -80 degree C without significant