[ccp4bb] Assistant Professor in Structural Biology, University of Nebraska-Lincoln

2024-10-14 Thread Mark Wilson
Dear fellow structural biologists, The Department of Biochemistry at the University of Nebraska-Lincoln (UNL) invites applications for a tenure-track Assistant Professor position in Structural Biology. Areas of particular interest include but are not limited to multiscale imaging, time-resolved

Re: [ccp4bb] Assistant Professor in Structural Biology, University of Nebraska-Lincoln

2023-10-15 Thread Mark Wilson
Professor. Best regards, Mark Mark A. Wilson (he/him) Professor Department of Biochemistry/Redox Biology Center University of Nebraska N118 Beadle Center 1901 Vine St. Lincoln, NE 68588 From: Gerlind Sulzenbacher Date: Sunday, October 15, 2023 at 10:15 AM To: Mark Wilson , CCP4BB@JISCMAIL.AC.UK

[ccp4bb] Assistant Professor in Structural Biology, University of Nebraska-Lincoln

2023-10-15 Thread Mark Wilson
Dear Colleagues, The Department of Biochemistry at the University of Nebraska-Lincoln (UNL) invites applications for a tenure-track nine-month (academic year) faculty position at the rank of Assistant Professor. Areas of particular interest include but are not limited to time-resolved approache

[ccp4bb] Session on mix-and-inject serial crystallography at the SSRL/LCLS Users' Meeting

2022-09-20 Thread Mark Wilson
Dear fellow structural biologists, Dr. Chris Kupitz (LCLS) and I are co-hosting a session on mix-and-inject serial crystallography at XFELS and synchrotrons on Weds, 9/28 as part of this year’s SSRL/LCLS Users’ Meeting. This is an opportunity to hear from leading researchers about new methods a

[ccp4bb] Cryo-EM Core Director position, University of Nebraska-Lincoln

2022-05-09 Thread Mark Wilson
Dear Structural Biologists, The University of Nebraska is hiring a Core Director (Research Assistant Professor) for our Glacios TEM with a Selectris energy filter, Falcon 4i detector, and micro-ED capability (delivery expected 12/2022). This hire is an addition to a tenure-leading hire in Cryo-

[ccp4bb] Fixing input anisotropic scale parameters in Refmac5

2021-04-22 Thread Mark Wilson
Dear Colleagues, I would like to run test refinements in Refmac5 where I can provide anisotropic scale parameters, fix them, and then proceed with restrained refinement of other model parameters. I could not find how to do this in the documentation-is this possible? Best regards, Mark Mark A.

Re: [ccp4bb] Covalent Cysteine Aduct

2020-03-27 Thread Mark Wilson
Hi Richard, Something that hasn’t been mentioned yet that might help settle the issue is to calculate an anomalous difference map with your I+, I- unmerged data. Even if you collect data far from the S edge, it is often possible to see positive anomalous difference density for S atoms in maps at t

[ccp4bb] Postdoctoral position in molecular image analysis methods development, University of Nebraska

2019-11-07 Thread Mark Wilson
Dear Colleagues, There is a postdoctoral position at the University of Nebraska in methods development for molecular image analysis. Application review has started and will remain open until the position is filled. Please see details below. Best regards, Mark Mark A. Wilson Associate Professor Dep

Re: [ccp4bb] [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Mark Wilson
Hi Diana, At the risk of thread-jacking Ed’s question, yes, PHENIX handles this seamlessly for us as well. However, REFMAC5 doesn’t like this scenario, with or without alt. confs. or insertion codes. There are some models where I’d really like to use REFMAC5 for refining these mixed species model

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Mark Wilson
I agree. We have encountered refinement problems similar to those Ed describes for models with mixtures of modified cysteine species, which is a fairly common occurrence. Best regards, Mark Mark A. Wilson Associate Professor Department of Biochemistry/Redox Biology Center University of Nebraska N1

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-20 Thread Mark Wilson
Just to put a finer point on some of this, the Lennard-Jones (6-12) potential is short-range, containing an attractive component arising from London dispersion forces (quantum mechanical induced dipole-induced dipole interactions) that decay as 1/r^6 and a repulsive component arising from the Pauli

Re: [ccp4bb] [ccp4bb] protein precipitation reg

2017-03-29 Thread Mark Wilson
I heartily concur with Craig. Tris can be a dangerous buffer for many reasons, including those listed below. In addition, as a primary amine, it can complicate work with metalloproteins and has moderate nucleophilicity. There is almost always a better buffer choice than Tris. Best regards, Mark

Re: [ccp4bb] clash crash

2016-02-01 Thread Mark Wilson
I second Bernhard’s frustration with this, and have dealt with this many times. I note that SHELX uses an occupancy-based clash criterion that will not generate a clash for atoms whose occupancies sum to <1.1. It seems to me that this could be a more generally adopted criterion. Furthermore, it w

Re: [ccp4bb] AW: [ccp4bb] Translational NCS with one molecule in ASU

2015-09-03 Thread Mark Wilson
ard perfect storm. > >Sent from my iPhone > >> On 3 Sep 2015, at 21:07, Mark Wilson wrote: >> >> Hi Eleanor, >> Yes, of course you are correct about the beta~90° requirement for >>possible >> twinning here-I was mistakenly thinking about pseudomerohedry

Re: [ccp4bb] AW: [ccp4bb] Translational NCS with one molecule in ASU

2015-09-03 Thread Mark Wilson
plot look like? Have you used pointless which gives the >CC for each symmetry operator separately - sometimes that shows say the >00 l axis is more 2-fold ish than the 0k0 axis.. > > > >Eleanor >PS - If the related protein fits into a similar cell with the same SG is >yours bigg

Re: [ccp4bb] AW: [ccp4bb] Translational NCS with one molecule in ASU

2015-09-03 Thread Mark Wilson
siteit Brussel and VIB > >DOI: 10.1107/S0907444904026721 > >On 03/09/15 18:13, George Sheldrick wrote: >> Dear Mark, >> >> Since your resolution is good enough, perhaps you should try to solve >> it ab initio with Arcimboldo Lite. This has already solved a number of &

Re: [ccp4bb] AW: [ccp4bb] Translational NCS with one molecule in ASU

2015-09-03 Thread Mark Wilson
winning statistics since in this case F's (including phases) are added >instead of I's. Anyways, it will be an interesting puzzle to solve! > >Good luck, >Herman > > >-----Ursprüngliche Nachricht- >Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] I

Re: [ccp4bb] Translational NCS with one molecule in ASU

2015-09-03 Thread Mark Wilson
ata in monoclinic SG, followed by doing > MR could be the key to this problem. > > >Good luck..!!! >Sudipta > > >On Wed, Sep 2, 2015 at 6:05 PM, Mark Wilson > wrote: > >Dear CCP4 Community, >I've had a number of helpful responses (on- and off-list) that I will &g

[ccp4bb] Segmentation fault in Pirate cmakereference

2015-05-26 Thread Mark Wilson
Dear CCP4 community, I am running the "make Pirate reference file" utility through CCP4i using downloaded coordinates and data. It consistently fails with: #CCP4I TERMINATION STATUS 0 "child killed: segmentation violation" #CCP4I TERMINATION TIME 26 May 2015 17:41:21 #CCP4I MESSAGE Task failed

Re: [ccp4bb] Strategies to bring out over-expressed protein from inclusion bodies to soluble fraction!!!

2014-10-17 Thread Mark Wilson
626 mwilso...@unl.edu On 10/17/14 10:05 AM, "Gloria Borgstahl" wrote: >Thanks Mark, this is a good tip >what would you use for Rosetta cells though? >Tetracyclin? > > >On Fri, Oct 17, 2014 at 8:31 AM, Mark Wilson > wrote: > >Hi Ivan, >We've had good luc

Re: [ccp4bb] Strategies to bring out over-expressed protein from inclusion bodies to soluble fraction!!!

2014-10-17 Thread Mark Wilson
Hi Ivan, We've had good luck with the addition of chloramphenicol ~1 hour prior to harvest, as described in: Carrió, M. M., and Villaverde, A. (2001) Protein aggregation as bacterial inclusion bodies is reversible. FEBS Lett. 489, 29­33. We usually combine this with lower temperature growth (20 C).

Re: [ccp4bb] correlated alternate confs - validation?

2014-07-25 Thread Mark Wilson
As an additional comment on the issue of spatially correlated disorder, SHELX (and possibly other programs) has an elegant way of handling bump generation between disordered atoms. SHELX will only generate a bump if two atoms are in van der Waals conflict AND their occupancies sum to 1.1 or greate

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Mark Wilson
ogy Center University of Nebraska N118 Beadle Center 1901 Vine Street Lincoln, NE 68588 (402) 472-3626 mwilso...@unl.edu On 5/14/14 12:41 PM, "Nat Echols" wrote: >On Wed, May 14, 2014 at 10:26 AM, Mark Wilson wrote: > >Getting to Eric's point about an impasse, if the PD

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Mark Wilson
on't mean >such an authority should not exist, but I think it is a good think it is >not the PDB. It is a form of separation of powers. > >Best, >Tim > >On 05/14/2014 06:47 PM, Mark Wilson wrote: >> Hi Tim, >> I agree with everything you've said about th

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Mark Wilson
Hi Tim, I agree with everything you've said about the importance of validation, but aren't we really talking about something different here? Users of structural information should of course be keeping a careful eye on validation reports. On the other hand, what possible reason is there for the PDB

Re: [ccp4bb] Powder Rings in Single Crystals

2012-05-09 Thread Mark Wilson
Perhaps I misunderstood Jacob's original question, but it seems like two different phenomena are being discussed here. My read of Jacob's original question was, roughly, shouldn't we observe non-Bragg, powder-like scattering from a well-ordered macromolecular crystal due to the abundance of ~

Re: [ccp4bb] Crystal Structures as Snapshots

2012-02-10 Thread Mark Wilson
Hi Jacob, For Ca2+-CaM, and flexible proteins in general, the average conformation in solution may differ from the most crystallizable conformation. However, any crystallized conformation had to be sampled in solution at some point in order to form a crystal, and thus the crystal structure tells

Re: [ccp4bb] Transferring a Free R set.

2008-12-18 Thread Mark Wilson
Alun, I agree completely with previously stated opinions (and your practice) that preservation of a single test set is very important for the refinement of similar structures. One complication that for spacegroups in which there is a potential axis-indexing ambiguity (e.g. certain trigonal and

[ccp4bb] Postdoctoral Position Available at the University of Nebraska

2008-01-31 Thread Mark Wilson
Postdoctoral Position in the Structural Biology of Neurodegeneration at the University of Nebraska A postdoctoral position is available immediately in the laboratory of Dr. Mark Wilson in the Department of Biochemistry, University of Nebraska-Lincoln. The position is for two years and

[ccp4bb] ACA 2008 New Structures Session

2008-01-10 Thread Mark Wilson
communities. Abstract submissions from students interested in the Etter Student Lecturer Award are strongly encouraged. 01.01 New Structures Sunday, June 1st Organizers: David Giedroc and Mark Wilson Description: Recent structures from both the protein and nucleic acid structural communities that