[ccp4bb] Senior Associate position in Protein Technologies at Amgen British Columbia, Burnaby, BC

2020-07-29 Thread Shane Caldwell
Category: Scientific Job ID: R-102000 Location: Burnaby, BC, CA Additional Location: Canada - Mississauga Posted Date: 7/24/2020 Summary Amgen is a global biotechnology company that discovers and develops breakthrough therapies to treat serious human illnesses. Our mission is to serve patients ar

[ccp4bb] Senior Scientist position at Amgen British Columbia, Burnaby, BC

2020-07-29 Thread Shane Caldwell
Category: Scientific Job ID: R-102328 Location: Burnaby, BC, CA Additional Location: Posted Date: 7/29/2020 Title: Senior Scientist – Protein Technologies Team Lead Reports to: Principal Scientist Location: Burnaby *JOB SUMMARY* Amgen is a global biotechnology company that discovers and develo

[ccp4bb] Reference for hanging drop crystallization

2018-03-16 Thread Shane Caldwell
eview? Shane Caldwell shane.caldwel...@gmail.com

Re: [ccp4bb] Classifying Diverse Conformations of Many Structures of a Protein

2015-07-08 Thread Shane Caldwell
f you have rigid domains and a flexible connecting region, as it uses local structural alignments so keeps hinged movements from having a disproportionate impact on the alignment. Shane Caldwell McGill University On Tue, Jul 7, 2015 at 9:03 PM, Keller, Jacob wrote: > Is anyone aware of a wa

Re: [ccp4bb] paired refinement

2015-07-07 Thread Shane Caldwell
lographic stats. Shane Caldwell McGill University On Fri, Jul 3, 2015 at 2:56 AM, Kay Diederichs < kay.diederi...@uni-konstanz.de> wrote: > On Thu, 2 Jul 2015 13:25:07 -0400, Edward A. Berry > wrote: > > >My take on this- > >No one has been willing to specify a cutoff

Re: [ccp4bb] How to fit BioSAXS shape to the Structure

2015-06-26 Thread Shane Caldwell
Shouldn't the ability to distinguish enantiomers also depend upon the degree of asymmetry of the particle itself? (or pseudosymmetry, I suppose) With SAXS it should be easier to distinguish right-handed and left-handed lock washers than it is to tell a right-handed from a left-handed wall screw.

Re: [ccp4bb] references on application of broad specificity of enzyme

2015-06-24 Thread Shane Caldwell
18107 Shane Caldwell McGill On Tue, Jun 23, 2015 at 5:25 PM, sreetama das wrote: > Dear All, > > I have a transferase, which is showing broad specificity for both the > substrates (nucleotides) in our organism of interest, but is highly > specific in other organisms. > > Are th

Re: [ccp4bb] distorted phosphate molecule geometry after refinement

2015-06-22 Thread Shane Caldwell
It's probably much less likely than metal coordination and it's hard to judge from only one angle, but phospho-histidine might be something else to consider. http://www.jbc.org/content/276/5/3247.full Shane On Mon, Jun 22, 2015 at 2:15 PM, Roger Rowlett wrote: > I agree...one possibility is a

Re: [ccp4bb] Refmac refinement R factors going up..... TLS issue?

2015-06-18 Thread Shane Caldwell
-sound advice. A good thing to look at doing, especially if TLS is behaving weirdly, is to check with the PARVATI server (http://skuld.bmsc.washington.edu/parvati/). If your TLS group boundaries set off flags, you have some more work to do on the refinement. Shane Caldwell McGill University On

Re: [ccp4bb] Ligand relevance for bioinformaticians using PDB files

2015-06-11 Thread Shane Caldwell
crystallization solution (with just as much subjectivity) could be very useful for differentiating physiological versus artifactual ligands. Of course, much easier said than done. Shane Caldwell McGill University On Thu, Jun 11, 2015 at 3:14 PM, Lucas wrote: > This week a bioinformatics PhD candidate

Re: [ccp4bb] on secondary structure restraint

2015-05-29 Thread Shane Caldwell
Hi Smith, You're possibly looking at a turn of 3_10 helix: http://en.wikipedia.org/wiki/310_helix Whether it's real or not will of course depend on your electron density. Shane Caldwell McGill University On Fri, May 29, 2015 at 11:35 AM, Smith Liu wrote: > Dear All, > >

Re: [ccp4bb] Difference in the substrate specificity for TMP and CMP

2015-05-28 Thread Shane Caldwell
they both deoxyribonucleosides, or ribonucleosides? Because that would be the first place to look, if you haven't already. Shane Caldwell McGill University On Thu, May 28, 2015 at 8:12 AM, Faisal Tarique wrote: > Hello everyone > > I am working on a 5'-nucleotidase (Mg as a cof

Re: [ccp4bb] Hi

2015-05-26 Thread Shane Caldwell
Hi Vijay, In addition to the suggestions you've already received, the pair_fit command in PyMol is also an easy way to align based on specific atoms. You could use the C-alphas of relevant active site residues, or atoms of the ligand itself, for example. Just be mindful of the bias introduced base

Re: [ccp4bb] Auto-proteolysis

2015-05-26 Thread Shane Caldwell
e whether the proteolysis is happening before or after purification. Hope this helps, Shane Caldwell McGill University On Tue, May 26, 2015 at 1:45 AM, Mohammad Khan wrote: > Dear all, > > I am working on a His-tag recombinant protein with two domains, which I > purify using a

Re: [ccp4bb] [RANT] Reject Papers describing non-open source software

2015-05-12 Thread Shane Caldwell
Of note, this discussion was recently in the pages of Nature: http://www.nature.com/news/rule-rewrite-aims-to-clean-up-scientific-software-1.17323 Shane Caldwell McGill University On Tue, May 12, 2015 at 12:48 PM, James Stroud wrote: > I hereby call on the broadest community of academics

Re: [ccp4bb] Sortwater NCS Matrix input

2015-04-15 Thread Shane Caldwell
t 12:21 PM, Shane Caldwell wrote: > good enough to pass the orthonormal test. > > > .. scratch that, it passes sometimes and still fails for other > structures/chains. So I'm still in search of a higher-precision export > > Shane > > On Wed, Apr 15, 2015 at 11:44 AM, Sha

Re: [ccp4bb] Sortwater NCS Matrix input

2015-04-15 Thread Shane Caldwell
> > good enough to pass the orthonormal test. .. scratch that, it passes sometimes and still fails for other structures/chains. So I'm still in search of a higher-precision export Shane On Wed, Apr 15, 2015 at 11:44 AM, Shane Caldwell wrote: > Hi Bernhard, thanks for the poi

Re: [ccp4bb] Sortwater NCS Matrix input

2015-04-15 Thread Shane Caldwell
decimal points you lose. >> >> You have to add more digits, but just adding zeros isn't going to >> accomplish much. The best solution is to get your ncs program to >> report >> its matrix with more digits -- three is pitiful.

Re: [ccp4bb] Role of protein dimerization

2015-04-08 Thread Shane Caldwell
Hi Natalia, This might be a good place to start: http://www.sciencedirect.com/science/article/pii/S0968000404002348 The power of two: protein dimerization in biology. Trends Biochem Sci. 2004 Nov;29(11):618-25 Marianayagam NJ1, Sunde M, Matthews JM. Abstract: The self-association of proteins to

Re: [ccp4bb] Sortwater NCS Matrix input

2015-04-01 Thread Shane Caldwell
pe this > doesn't mess up the dot product test. You'll end up with one number in > each row having more than three decimal places. > > Dale Tronrud > > On 4/1/2015 2:52 PM, Shane Caldwell wrote: > > Hi ccp4bb, > > > > I'm trying to solve a problem

[ccp4bb] Sortwater NCS Matrix input

2015-04-01 Thread Shane Caldwell
es, I get the sense this isn't something that many users do any more. I have quite a few structures with hundreds of waters each and I'd like to get the waters organized, but doing it by hand will take a very long time. Any help getting this program running would be greatly appreciated! Shane Caldwell McGill University

Re: [ccp4bb] Redundancy vs no of frames

2015-01-19 Thread Shane Caldwell
Don't forget, "multiplicity" has its own negative connotations. http://www.imdb.com/title/tt0117108/ Shane Caldwell McGill University On Sun, Jan 18, 2015 at 12:26 PM, Edward A. Berry wrote: > Also RAID (REDUNDANT array of inexpensive disks). To me redundancy im

Re: [ccp4bb] Off-topic - PyMol map sampling at unit cell boundary

2015-01-12 Thread Shane Caldwell
om/i46YH6r Doubled once: http://imgur.com/Vy8oJfx Doubled twice: http://imgur.com/q3gO0cI Cheers, Shane Caldwell McGill University On Fri, Jan 9, 2015 at 4:57 PM, Paul Emsley wrote: > On 09/01/15 21:08, Shane Caldwell wrote: > >> Hi ccp4bb, >> >> Apologies for a cross-post

[ccp4bb] Off-topic - PyMol map sampling at unit cell boundary

2015-01-09 Thread Shane Caldwell
imgur.com/q3gO0cI Thanks for your indulgence! Shane Caldwell McGill University

Re: [ccp4bb] unknown densities

2014-12-09 Thread Shane Caldwell
multiplicity on e.g. a Cu source. (Disclaimer: I'm no expert. Others here know how this works much better than I do) Shane Caldwell McGill University On Tue, Dec 9, 2014 at 8:35 AM, R. M. Garavito wrote: > Yamei, > > This is not unusual, particularly for many proteins that bind nucleotide

[ccp4bb]

2014-08-19 Thread Shane Caldwell
not be as straightforward as MS Cheers, Shane Caldwell McGill University On Tue, Aug 19, 2014 at 2:56 AM, rohit kumar wrote: > Dear All, > i have solved a structure of 3.2 A. That is a PLP depended enzyme. > In their resting state, PLP-dependent enzymes are usually joined by a &

Re: [ccp4bb] monomer/dimer protein

2014-08-14 Thread Shane Caldwell
reatment of the subject I know of is Chapter 8 of McPherson, although I don't think it addresses dimers specifically, just nonspecific aggregates. Perhaps still a place to start? Shane Caldwell McGill University On Wed, Aug 13, 2014 at 5:40 PM, Todd Jason Green wrote: > Hello All- > &g

Re: [ccp4bb] Crystals Disappearing Overnight

2014-05-09 Thread Shane Caldwell
t you see is really protein and not simply crystals of adenosine. Note that crystals of adenosine may still give you a signal under UV fluorescence, so best to trust other tests for protein, or of course the one test that really matters, diffraction. Shane Caldwell McGill University On Fri, May 9,

Re: [ccp4bb] density near Histidine

2014-03-08 Thread Shane Caldwell
Hi SDY, It would be unlikely unless you have other reasons to believe it (biology, surrounding environment), but that blob looks a little like a possible phospho-histidine. It might be worth a looking into? That said, buffer or metals are probably the more likely explanation. Shane Caldwell

Re: [ccp4bb] preparation of citrate buffer pH3-6.5

2014-01-30 Thread Shane Caldwell
lklore for me. Either way it might be worth testing the stability of your electrode over time to get an idea. Shane Caldwell McGill University On Thu, Jan 30, 2014 at 10:40 AM, Katherine Sippel < katherine.sip...@gmail.com> wrote: > Alternatively you could make a stock solution of

[ccp4bb] Examples of multiple ASU copies with different conformations

2014-01-27 Thread Shane Caldwell
anks in advance! Shane Caldwell McGill University

[ccp4bb]

2014-01-22 Thread Shane Caldwell
inues to be a problem, you can QuikChange in a PreScission or TEV site in place of the thrombin site - they tend to be much nicer proteases, and much more specific. Hope this helps, Shane Caldwell McGill University On Wed, Jan 22, 2014 at 5:59 AM, Pablo Power wrote: > Dear Venkat, >

Re: [ccp4bb] is there any DNA?

2014-01-16 Thread Shane Caldwell
uot;normal" absorbance profile - if there aren't very many aromatics, especially Trp, then the peak protein absorbance may shift quite a bit (and also decrease), in which case the 260/280 rules shouldn't apply anymore. Hope this helps, Shane Caldwell McGill University On Wed, Jan 15,

Re: [ccp4bb] Can not optimize

2013-08-25 Thread Shane Caldwell
Hi Omi, Just to add to Preben's suggestion, something that jumps out from the conditions you list - those are all fairly chaotropic anions. It might also be worth looking into other anions from the same end of the Hofmeister series (i.e. bromide), and possibly chaotropic cations as well.

[ccp4bb] TLS group assignment near poorly ordered loop

2013-08-21 Thread Shane Caldwell
r hand, I don't know if (3) is scientifically sound and/or will lead to problems refining in refmac. What would be my best option? Interested to hear thoughts on this, thanks! Shane Caldwell McGill University

[ccp4bb] Sorting water to NCS, NCS transformation matrix

2013-06-14 Thread Shane Caldwell
lution is hiding in plain sight in one of the packages I already use, but if so, I can't seem to find it. Thanks in advance for your help. Cheers, Shane Caldwell McGill University

Re: [ccp4bb] gelification of a pure protein

2013-04-22 Thread Shane Caldwell
perhaps still worth a look. Cheers, Shane Caldwell McGill University On Mon, Apr 22, 2013 at 8:20 PM, Pascal Egea wrote: > Thanks to All for the diligent answers to my query, > > The protein is not thermophilic and has only one cysteine. We are working > in presence of freshly added re

Re: [ccp4bb] Philosophical question

2013-03-19 Thread Shane Caldwell
lic potential of the cell? Or at least was primordially and "QWERTY'd in"? /wild speculation Shane Caldwell McGill University On Tue, Mar 19, 2013 at 9:46 AM, Edward A. Berry wrote: > Opher Gileadi wrote: > >> Hi Theresa, >> >> To add to Anat's comments: Alt

Re: [ccp4bb] Problems in scaling up expression

2013-01-15 Thread Shane Caldwell
Hi James, The first place I'd look is oxygen conc, as you'll get different aeration from different vessel shapes/sizes. You could play around with shaking speed and/or flask geometry to try to get more or less aeration. Shane Caldwell McGill University On Tue, Jan 15, 2013 at 9:48

Re: [ccp4bb] yellow protein

2012-11-30 Thread Shane Caldwell
Hi Andrey, Are you sure it's not PLP? To me that looks like you have confounding aggregation, and PLP in two forms, perhaps only partly incorporated when considering your protein absorbance. Check out the spectra in the paper: Turning pyridoxal-5'-phosphate-dependent enzymes into thermostable bin

[ccp4bb] Strange crystal morphology - needles with a periodic pattern

2012-08-20 Thread Shane Caldwell
like this might suggest any other avenues of attack. Thanks for your time, Shane Caldwell