[ccp4bb] Industrial postdoc position at Biogen

2017-04-25 Thread Matthew Chu
Hi All, This is a job posting on behalf of a friend at Biogen, Cambridge, MA, US: We have a postdoctoral position open to study Wnt signaling and its role in neurodegeneration. A number of studies have shown the importance of the Wnt signaling pathway in the survival and maintenance of dopaminerg

[ccp4bb] scala - handling of anomalous data

2012-04-06 Thread Matthew Chu
Hi all, Can someone kindly explain what is that "match pairs related by inversion of indices" option doing for handling anomalous data? If I have collected the inverse beam data, does it mean I have to use this option to match the I+ and I- pairs in merging? But why does it lead to seriously incom

[ccp4bb] Fwd: 6th International Conference: Hybrid Methods (March 14-18)

2012-01-19 Thread Matthew Chu
This is a forwarded message. For inquires please contact Bill Weis ( bill.w...@stanford.edu). Dear Colleagues: We are delighted to announce that the* 6th International Conference on Structural Analysis of Supramolecular Assemblies by Hybrid Methods *will be held from *March 14-18, 2012 in Lake

Re: [ccp4bb] Pymol questions

2011-05-04 Thread Matthew Chu
1. Yes, just "Save Molecule" (individually) after align 2. > show stick, &HETATM around 4 ( is your pdb name, 4 = 4 angstrom) On Wed, May 4, 2011 at 3:26 PM, jlliu liu wrote: > Hi All, > > I have two questions for Pymol. > > 1. Can you write out the PDB file after structural align

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Matthew Chu
sorry, this is the right link for the mac-pymol movie: people.chem.umass.edu/jhardy/BMS2006Files/pymol%20morphing/PymolMorphingMovie.pdf On Mon, Mar 7, 2011 at 2:07 PM, Matthew Chu wrote: > Hey Mark, > > In Window PC, I used ImageReady, which comes with Photoshop. > see

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Matthew Chu
Hey Mark, In Window PC, I used ImageReady, which comes with Photoshop. see this: http://sage.ucsc.edu/~wgscott/xtal/movie/making_movie.html Alternatively, using Mac version of Pymol, you can easily make a movie and save it in quick time format see this: www.chem.umass.edu/.../*BMS2006*Files/.../P

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 d

Re: [ccp4bb] List of commonly used cryoprotectants and buffer molecules

2010-09-09 Thread Matthew Chu
ISRDB Cryoprotectant database for protein crystals is a good resource, not only for the cryoprotection methods but the freezing methods used from literature. http://idb.exst.jaxa.jp/db_data/protein/200304E02478000.html It is under maintenance at the moment though... HTH, Matt On Thu, Sep 9, 201

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Matthew Chu
Yea, Parveen has actually asked about this here a year ago and I found this discussion quite useful indeed: www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg11717.html and I think we all get tons of these crystals especially in conditions with PEGs. There are lots of things you can try and have been

Re: [ccp4bb] ligand fitting, refinement?

2009-11-26 Thread Matthew Chu
Hi Rui, for some reasons, I also always encounter problems when building new ligand by CCP4 Sketcher. You can try PRODRUG ( http://davapc1.bioch.dundee.ac.uk/prodrg/index.html) to build your new ligand and get the cif from the server, it always works for me. HTH, Matt 2009/11/27 rui > Hi, > > I

Re: [ccp4bb] MSD PISA

2009-11-24 Thread Matthew Chu
Hi Koustav, I had the same question before and here is the answer from Eugene Krissinel, the developer of PISA: "Yes PISA has a database of compounds, which contains certain interaction parameters. If a compound is not found in the database, then PISA does not know how it interacts with other mol

Re: [ccp4bb] generating a cif file using refmac

2009-06-27 Thread Matthew Chu
Hi Madhavi, try the prodrg server: http://davapc1.bioch.dundee.ac.uk/prodrg/index.html 2009/6/26 Nalam, Madhavi > Hello: > I am using CCP4 version 6.1.1 now. > > I refine protein-small molecule complexes (the small molecules are new > and hence I have to input the cif file). > In the previous

Re: [ccp4bb] soaking problems

2009-06-09 Thread Matthew Chu
Hi Marek, I had a similar problem before, which the active site was partially occupied by a PEG molecule and my ligand couldn't get into the site. Sequential soaking-out can solve my problem; basically you need to slowly remove the PEGs from the crystal (in order to balance the osmotic shock): Ste

Re: [ccp4bb] ARP/wARP Solvent

2009-01-09 Thread Matthew Chu
be in the imminent 7.1 release. > > A. > > > > On Jan 8, 2009, at 12:59, Matthew Chu wrote: > > Thanks Damian, but I have been using my library file for refmac refinement > and it works fine. And I can't find the line "Unrecognized atom type", but > presumably,

Re: [ccp4bb] ARP/wARP Solvent

2009-01-08 Thread Matthew Chu
that is passed on to refmac. > > When using the auto_solvent.sh script, please omit the '[' and ']' > characters. Type e.g.: auto_solvent.sh datafile L1.mtz protein L1.pdb fp > F_New sigfp SIGF_New extralibrary refmac5_templ.03957_lib.cif > > I hope this will hel

[ccp4bb] ARP/wARP Solvent

2009-01-07 Thread Matthew Chu
Dear all, I tried to use ARP/wARP 7.0.1 GUI for solvent building, however it couldn't recognize my ligand library file (.cif), which works fine in refmac refinement. Apparently, the error message is: ===> Error: New ligand has been encountered. Stopping now Refmac_5.2.0019: New ligand has been

Re: [ccp4bb] Sequence of crystallised protein fragment

2008-07-01 Thread Matthew Chu
N-terminal sequencing / MS for intact mass analysis are the only ways that I can think of. Matt 2008/7/1 Klaus Futterer <[EMAIL PROTECTED]>: > We have a 150 kDa protein that reproducibly crystallises at one of the > Hampton Screen conditions. However, we know from SDS gel analysis that the >

Re: [ccp4bb] pH gradient in Mono Q

2008-06-25 Thread Matthew Chu
Hi Nadir, No I didn't and I am not concerning CHROMATOFOCUSING, and you are right, I have been thinking of using both pH and salt gradients to refine the separation. Thanks! Matt 2008/6/25 Nadir T. Mrabet <[EMAIL PROTECTED]>: > John, > > You can adjust your ionic strength not only with NaCl/KC

Re: [ccp4bb] pH gradient in Mono Q

2008-06-25 Thread Matthew Chu
Thank you for all your advices. I usually employ salt gradient in MonoQ for my proteins, but I just wonder if we can use pH gradient in the same column and see if it can improve the separation. I know the condition that my protein binds to Mono Q, so I will try to titrate toward its pI to reduce

Re: [ccp4bb] pH gradient in Mono Q

2008-06-24 Thread Matthew Chu
t; > > The proprietary buffers are a bit expensive, but as you found out, they're > a bit complicated to make. I don't know if you'd ruin your Mono Q with a pH > gradient. If in doubt, buy one of the dedicated Mono P column. > > Hope that helps. > > > Andreas

[ccp4bb] pH gradient in Mono Q

2008-06-24 Thread Matthew Chu
Dear All, Sorry for off-topic question. Does anyone have any experience in purifying protein using pH gradient in Mono Q column? I have been googling for a whole day, only one paper was found to mention performing pH gradient in Mono Q, but in a mixture of amine buffering species, which is a bit

Re: [ccp4bb] Refinement in half occupancy

2008-06-10 Thread Matthew Chu
lf occupancy'. > And which one is working for you. > > Thanks, > bb > > > *Matthew Chu <[EMAIL PROTECTED]>* wrote: > > Thank you for all the advices, I am now able to refine the ligand in half > occupancy! > > Matt > > > > 2008/6/10 Guilla

Re: [ccp4bb] Refinement in half occupancy

2008-06-10 Thread Matthew Chu
Thank you for all the advices, I am now able to refine the ligand in half occupancy! Matt 2008/6/10 Guillaume Marassio <[EMAIL PROTECTED]>: > I'am not sure it is your problem but you can try with A and B before the > residue number. > Hope it will be helpfull. > Guillau

[ccp4bb] Refinement in half occupancy

2008-06-09 Thread Matthew Chu
Dear All, Can anyone teach me how to refine a ligand in a protein structure with half occupancy in refmac? I have tried to combine the coordinates of the two different conformations of that particular ligand in one pdb, after modeling in Coot individually, and then changed the occupancy to 0.5 for