[ccp4bb]

2022-09-08 Thread Engin Özkan
/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> -- Engin Özkan, Ph.D. Ass

Re: [ccp4bb] AW: [ccp4bb] Antwort: Re: [ccp4bb] chain on 2-fold axis?

2021-08-28 Thread Engin Özkan
amp;A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ -- Engin Özkan, Ph.D. Assistant Professor Dept of Biochemistry and Molecular Biology University of Chicago #

Re: [ccp4bb] Coming July 29: Improved Carbohydrate Data at the PDB -- N-glycans are now separate chains if more than one residue

2020-12-10 Thread Engin Özkan
s://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ -- Engin Özkan, Ph.D. Assist

[ccp4bb] Qt-PISA not recognizing Trp H bond

2020-08-22 Thread Engin Özkan
CP4 page is down, and I don't know where to look. -- Engin Özkan, Ph.D. Assistant Professor Dept of Biochemistry and Molecular Biology University of Chicago http://voices.uchicago.edu/ozkanlab To unsubscribe from th

Re: [ccp4bb] challenges in structural biology

2019-07-23 Thread Engin Özkan
On 7/23/19 3:35 AM, melanie.voll...@diamond.ac.uk wrote: > No longer those 20 odd names for ammonium sulphate You mean ammonium *sulfate*. As it is called across the pond. :) On a related note on common nomenclature for recording crystallization experiments that Janet brought up: I find it odd

[ccp4bb] off-topic: AUC facility

2018-12-20 Thread Engin Özkan
Engin -- Engin Özkan, Ph.D. Assistant Professor Dept of Biochemistry and Molecular Biology University of Chicago Phone: (773) 834-5498 http://ozkan.uchicago.edu To unsubscribe from the CCP4BB list, click the following link:

Re: [ccp4bb] O-linked glycans

2018-07-23 Thread Engin Özkan
Do it the same way we used to do all glycans last year, before the new Coot interface for adding glycans: * "Get monomer" to get the monomer you want to add roughly where it goes. * Remove hydrogens from it. * Position the O1 atom roughly where you have the O-gamma of Ser/Thr, rotate and tran

Re: [ccp4bb] Coot 'Edit Chi Angles' on Mac misbehaving

2018-04-26 Thread Engin Özkan
Just to make the point that you are not alone, I have observed the same issue on Mac with CCP4-installed Coot 0.8.9.1 using latest OS and Xquartz. This started happening with a recent update. Interestingly, the 'Edit Chi Angles' dialogue now allows us to modify non-chi angles as well (not sur

Re: [ccp4bb] Issues with latest XDS (20171218)

2018-01-24 Thread Engin Özkan
Dear all, I have to agree with all sentiments stated, and I have definitely seen the value of restraining distance values in weak and anisotropic data, which is great for those of us who deal with such data on a regular basis. However, I also just went through a search of all refined DISTANCE

Re: [ccp4bb] XQuartz and High Sierra OSX

2017-12-04 Thread Engin Özkan
Hi, I have been using Xquartz 2.7.11 (the latest release) perfectly fine on High Sierra. We did not have to downgrade to 2.7.8. CCP4i and Coot works perfectly fine with XQuartz 2.7.11 on multiple iMacs and MacBook Pros we have in the lab. Best, Engin On 12/4/17 4:49 AM, Martin Montgomery

Re: [ccp4bb] HKL to mtz

2017-10-05 Thread Engin Özkan
parameters did you give (or what was your script)? (often the FORMAT statement is the problem). And in what way the output mtz file is not working? maybe use mtzdump to show what you got. Hope that will lead to a speedy resolution! -- Engin Özkan, Ph.D. Assistant Professor Dept of Biochemistry

[ccp4bb] CCP4 website

2017-06-15 Thread Engin Özkan
Hi, I am unable to reach the CCP4 website and the CCP4 online services regularly. The websites appear to be down (for everyone) on and off. Could we alert someone responsible to look into this? Thank you, Engin

Re: [ccp4bb] For stabilizing protein-protein complex

2017-01-31 Thread Engin Özkan
Not observing a complex on a gel filtration run for a week complex (micromolar) is not necessarily unexpected. It all depends on your protein concentrations, the dissociation kinetics (remember, a gel filtration run is not an equilibrium experiment - it dilutes and separates your sample), etc.

Re: [ccp4bb] SeMet in S2 cell

2016-12-22 Thread Engin Özkan
Dear Scott and the board, Sorry for the email not intended for all. This is a really useful protocol for S2s; we so use slightly different ways of making protein in S2. My students will takes notice of this! Best, Engin On 12/23/16 5:56 AM, Engin Özkan wrote: Hi guys, Here is a

Re: [ccp4bb] SeMet in S2 cell

2016-12-22 Thread Engin Özkan
email:wal...@ibbr.umd <mailto:wal...@ibbr.umd>.edu phone: (240) 314-6478 fax: (240) 314-6255 On Dec 22, 2016, at 7:52 PM, Engin Özkan <mailto:eoz...@uchicago.edu>> wrote: Nothing specific about S2 cells to contribute... However, S2s usually grow fine in other insect media, su

Re: [ccp4bb] SeMet in S2 cell

2016-12-22 Thread Engin Özkan
Nothing specific about S2 cells to contribute... However, S2s usually grow fine in other insect media, such as those intended for lepidopteran cell lines like the Sf9 and High Five. Protocols established for those cell lines, for example, check out those using the medium ESF-921, would probably

Re: [ccp4bb] CCP4 not working with OSX Yosemite version 10.10.3

2015-05-28 Thread Engin Özkan
As was reported before many times, the solution to the error you're getting is reinstalling Xquartz. Engin On 5/28/15 7:33 AM, saleem raza wrote: Hi, I recently updated the OSX on my IMAC to OSX Yosemite version 10.10.3. Since then I am unable to open CCP4. I have tried to reinstall the CCP

Re: [ccp4bb] Crystal morphology

2015-05-17 Thread Engin Özkan
Magnesium phosphate crystals? I've definitely seen salt crystals with that morphology before. Check out the Ksp for Mg3(PO4)2. Engin On 5/17/15 6:45 PM, Bishwa Subedi wrote: Hi All, I know that its hard to say if the crystal is protein crystal just by looking at its morphology, however I was

[ccp4bb] Postdoctoral Scholar Position Available at the University of Chicago

2014-12-17 Thread Engin Özkan
Source (APS) of the Argonne National Laboratory. Those interested should send a CV, including a list of three references, with a cover letter describing your personal interests, experience and your interest in our laboratory. Below is the contact information: Engin Özkan, Ph.D. eoz

Re: [ccp4bb] Incubator for crystallization

2014-11-14 Thread Engin Özkan
this or other models in this category. Thanks, Engin On 11/12/14 11:40 AM, Engin Özkan wrote: Hi, Our experience was the opposite. Ours did not work well and completely broke soon after. This incubator quickly turned into the largest door stop in the lab. I'm sure ours was just a le

Re: [ccp4bb] Incubator for crystallization

2014-11-12 Thread Engin Özkan
Hi, Our experience was the opposite. Ours did not work well and completely broke soon after. This incubator quickly turned into the largest door stop in the lab. I'm sure ours was just a lemon, but I thought I'd still mention it to warn others. I am still interested in hearing what models of

Re: [ccp4bb] Guard columns from FPLC

2014-09-17 Thread Engin Özkan
in advance. Have a good day Anita -- Engin Özkan, Ph.D. Assistant Professor Dept of Biochemistry and Molecular Biology University of Chicago Phone: (773) 834-5498 http://ozkan.uchicago.edu

Re: [ccp4bb] Hosed-Up X-Ray Structures: A Big Problem

2014-06-13 Thread Engin Özkan
Do those fixes also make it to the phenix version of the library? Yes, this is the CCP4bb, but the monomer library is also used by Phenix, and a good number of structures (almost half of those deposited this year?) in the PDB now come from phenix.refine. Or in other words, is there a central, h

Re: [ccp4bb] HisTrap Trap

2014-05-19 Thread Engin Özkan
I doubt it is ferritin sucking up metals; although the problem of crystallizing ferritin is an issue in secreted preps. See this paper, where they made lemonade (a PNAS paper) from this lemon (High Five ferritin crystals): " Secreted ferritin was isolated from the supernatants of baculovirus-in

Re: [ccp4bb] PyMol and Schrodinger

2014-04-23 Thread Engin Özkan
On 4/23/14, 1:53 PM, Francis Reyes wrote: Office 365 is $10 a month, Adobe Creative Cloud (what used to be their Creative Suite) is $50 a month with an annual commitment. Licensing the use of software on a time-limited basis as a business model seems like it's going to stick around. And that's

Re: [ccp4bb] Room temperature data collection

2014-02-06 Thread Engin Özkan
On 2/6/14, 10:32 AM, Thomas, Leonard M. wrote: Finally as an observation over the years the art of mounting a crystal for a room temperature or 4 C shot is a dying art. I am not firmly convince the Mitogen mounts work really well, I have always had better luck with a capillary. That just may

Re: [ccp4bb] no link_id

2014-02-05 Thread Engin Özkan
UNL is for unknown ligand, while UNX is for unknown atom/ion. And as Robbie said, UNK implies an amino acid of unknown identity. http://www.wwpdb.org/documentation/format32/sect4.html On 2/5/14, 1:38 PM, Robbie Joosten wrote: Just to add to Matthew's good advice, UNK is the standard residue name

Re: [ccp4bb] Best compounds for heavy atom soaks

2014-01-15 Thread Engin Özkan
There is quite a bit of literature on this, but my favorite paper is this: http://www.ncbi.nlm.nih.gov/pubmed/18391402 Towards a rational approach for heavy-atom derivative screening in protein crystallography. Spoiler: The overall winner is ethyl mercury phosphate (Figure 7). Of course, chem

Re: [ccp4bb] Protein concentration form chromatograms

2014-01-15 Thread Engin Özkan
On 1/15/14, 9:34 AM, Matthew Franklin wrote: - I usually approximate the peak as a triangle, so that the total peak area is 1/2 height (absorbance maximum) x base (the number of ml in your pool) GE's UNICORN for AKTAs (and probably the new Biorad FPLC software) integrates and tells you the are

Re: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Engin Özkan
Hi, On 11/20/13, 4:17 PM, Zhijie Li wrote: If you need to refine the structure with phenix.refine then you need to make an edit file to specify that the mannose C1 is linked to the ser OG by a covalent bond. I am not sure if this is what was meant, but you don't need to define bonds explicitl

Re: [ccp4bb] observed criterion sigma

2013-11-14 Thread Engin Özkan
To add one more nugget, in your pdb you might see a REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.36 or some such thing. Ignore it (I am not sure why this isn't closer to zero, but that must be a result of French/Wilson). This is *not* your observed criterion for sigma for F's, although I

Re: [ccp4bb] post to ccp4bb

2013-07-23 Thread Engin Özkan
On 7/23/13 9:01 AM, Edward A. Berry wrote: Here we need some clarification on which I/s(I) is meant - sigma(I) for the individual measurements, or sigma(I) from error propagation to the final which as Engin notes will be lower. Isn't the reported Mean(I/sigI) in the reported Aimless table fo

Re: [ccp4bb] post to ccp4bb

2013-07-22 Thread Engin Özkan
On 7/22/13 11:20 PM, Ethan Merritt wrote: Which brings up the point that something seems to have gone wrong in one of your processing runs. Both runs claim mean (I/sigI) in the outer shell is 2.0, but in one case this is for the 2.4A shell and in the other case it's for the 2.2A shell. That is

Re: [ccp4bb] AW: [ccp4bb] modified amino acids in the PDB

2013-07-09 Thread Engin Özkan
Unfortunately, not all is ever that easy. If we were to follow Mark's rules, glycoproteins would end up losing their asparagines (and others residues depending on the type of glycosylation) to numerous underdefined new residue types. And consider the confusion caused by the different versions o

[ccp4bb] JOB POSTING: Senior Post-doc or Staff Level Crystallographer, Stanford, CA

2013-06-05 Thread Engin Özkan
Please direct your inquiries to Dr Garcia: Dear Colleagues, I have an opening for a senior post-doc or staff level crystallographer in my group. This is an ideal transitional position for someone at later stages of a post-doc who is looking to bolster experience and/or publication record

Re: [ccp4bb] Qt PISA text copy?

2013-03-05 Thread Engin Özkan
1st stable assembly, navigate to that assembly in the result tree on the left (that means, open Assemblies/Stable and highlight 1st assembly), and then choose "File/Export plain text" from windows' menu. I hope that this helps, Eugene On 4 Mar 2013, at 07:13, Engin Özkan wrote:

[ccp4bb] Qt PISA text copy?

2013-03-03 Thread Engin Özkan
copy and paste from a browser when using the webserver. I must clearly be missing something using the new and beautiful Qt interface (otherwise why produce these tables?). Could someone please direct me to how to do this? Cheers, Engin -- Engin Özkan Post-doctoral Scholar Laboratory of K

Re: [ccp4bb] OT: Has anyone experienced problems with Apple laptop battery expansion?

2012-11-19 Thread Engin Özkan
To add another datapoint, a couple of weeks ago, I saw a friend's MacBook Pro (probably 2007) had a battery case open up just like that. My 17-inch MacBook Pro (2008) case is also bent in a million different ways, and I have already had to change the bottom case once (for $130, and at no labor

Re: [ccp4bb] Off-topic His-Antibody

2012-06-25 Thread Engin Özkan
he money, over the past few years. The only post I could find on the BB was from 2008. Have His-Antibodies improved or are they still rubbish. -- Engin Özkan Post-doctoral Scholar Laboratory of K. Christopher Garcia Howard Hughes Medical Institute Dept of Molecular and Cellular Physiology 27

Re: [ccp4bb] How to handle b-factors at low resolution and very incomplete model?

2011-08-23 Thread Engin Özkan
ps and was thinking of doing a rigid body or very restrained ( secondary structure | reference structure | etc ) refinement of the coordinates for helping the fit. Thanks! F - Francis E. Reyes M.Sc. 215 UCB University of Colorado at Boulder -- E

Re: [ccp4bb] Straw poll: polysaccharide building?

2011-07-26 Thread Engin Özkan
s? Kevin p.s. I expect I'll have to spend at least a year working on the problem before before I spell polysaccharide consistently. -- Engin Özkan Post-doctoral Scholar Laboratory of K. Christopher Garcia Howard Hughes Medical Institute De

Re: [ccp4bb] XDS problem: REMOVE.HKL ignored?

2011-07-25 Thread Engin Özkan
in the XDS.INP file. Cheers, Florian On Jul 25, 2011, at 1:14 PM, Engin Özkan wrote: Hi all, After about a year of not working with XDS, I was a little surprised to see that adding a REMOVE.HKL file to the current directory and running CORRECT does not remove outliers. I still see the same

[ccp4bb] XDS problem: REMOVE.HKL ignored?

2011-07-25 Thread Engin Özkan
Hi all, After about a year of not working with XDS, I was a little surprised to see that adding a REMOVE.HKL file to the current directory and running CORRECT does not remove outliers. I still see the same reflections reported at the end of my new CORRECT.LP file and I have grepped the XDS_ASCI

Re: [ccp4bb] Automating liquid dispensing

2011-03-11 Thread Engin Özkan
/ dislikes? Many thanks, Stephen -- Engin Özkan Post-doctoral Scholar Howard Hughes Medical Institute Dept of Molecular and Cellular Physiology 279 Campus Drive, Beckman Center B173 Stanford School of Medicine Stanford, CA 94305 ph: (650)-498-7111

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Engin Özkan
And as others have said shedding of dextran is a problem with GE columns (this was confirmed to me by GE people), but after extensive system equilibration, we do not see a problem significant enough to ever hurt our light scattering measurements. Engin On 3/8/11 10:38 AM, Engin Özkan wrote

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Engin Özkan
of the default 0.5 ml/min), since our HPLC has a lot of back pressure for FPLC columns. Best, Engin -- Engin Özkan Post-doctoral Scholar Howard Hughes Medical Institute Dept of Molecular and Cellular Physiology 279 Campus Drive, Beckman Center B173 Stanford School of Medicine Stanford, CA 94305

Re: [ccp4bb] dictionary files of polysaccharide for refmac run

2011-01-10 Thread Engin Özkan
ks in advance for any help! Best Regards, Hailiang -- Engin Özkan Post-doctoral Scholar Howard Hughes Medical Institute Dept of Molecular and Cellular Physiology 279 Campus Drive, Beckman Center B173 Stanford School of Medicine Stanford, CA 94305 ph: (650)-498-7111

Re: [ccp4bb] DTU vs DTT ?

2010-11-25 Thread Engin Özkan
mer of Coot in fact its stereoisomer known as dithioerythritol? Should I import the correct DTT from elsewhere and re-refine or is there something else behind this? Thanks a lot for any suggestions! Emmanuel -- Engin Özkan Post-doctoral Scholar Laboratory of K. Christopher Garcia Howard Hughes Med

Re: [ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

2010-07-06 Thread Engin Özkan
the tcl/tk supplied with OS X, and the latest mosflm is in ccp4, so there is no need for any of that. Just use what is in ccp4. Sorry for this. On Jul 5, 2010, at 4:34 PM, Engin Özkan wrote: Hi everybody, I was doing a regular fink update (OS X 10.6.4, 32-bit fink) when I encountered a

[ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

2010-07-05 Thread Engin Özkan
ists/unstable/main/binary-darwin-i386/sci/imosflm_1.0.4-3_darwin-i386.deb ### execution of /sw/bin/dpkg-lockwait failed, exit code 1 Failed: can't install package imosflm-1.0.4-3 -- Engin Özkan Post-doctoral Scholar Laboratory of K. Christopher Garcia Howard Hughes Medical Institute Dept of Mole

Re: [ccp4bb] Lysine methylation for proteins containing disulfide bonds?

2010-04-13 Thread Engin Özkan
ential and intended solely for the addressee. You must not disclose, forward, print or use it without the permission of the sender. ______ -- Engin Özkan Post-doctoral Scholar Laboratory of K. Christopher Garcia Howard Hughes Medical