[NMRFAM enews] NMRFAM eNewsletter_July 2017

Lai Bergeman lai.bergeman at wisc.edu
Thu Jul 13 15:51:29 CDT 2017


 NMRFAM eNewsletter – July 2017
________________________________


  *   August 2017 time requests: This is a reminder that July 19th 4pm CST is the deadline to have spectrometer time reserved for you for August 2017; please contact Lai Bergeman<mailto:lai.bergeman at wisc.edu> by e-mail or call 608-262-3173. You may schedule time yourself, as soon as the calendar is open by end-of-day on July 20th, by logging into Sundial and following the requests process.


  *   Vosges and Jaulan are not operational.


  *   2017 NMRFAM Advanced Structure Refinement Workshop (August 6th -9th) –
http://www.nmrfam.wisc.edu/advanced-workshop.htm

New User/Collaborator Information:
Please note that if you would like to collaborate with our facility you will need to submit an abstract providing some detail to Dave Aceti<mailto:djaceti at wisc.edu>, our coordinator, who will bring it up for review at our weekly staff meeting for approval. Please visit the NMRFAM website<http://www.nmrfam.wisc.edu/become-a-collaborator.htm> for more information.

Other NMRFAM capabilities:
Solid state probes at NMRFAM:
·         3.2mmEfree CPMAS, 4mm CPMAS and HRMAS probes - 500 MHz (Devon)
·         3.2mm Efree CPMAS and static BioProbe (PISEMA experiments) -  600 MHz III (Vosges)
·         3.2mm Efree CPMAS probe and 1.3mm ultrafast CPMAS probe- 900 MHz (Fleckvieh)


  *   LC/MS micrOTOF Q II is now available for collaboration.
  *   Bruker Nanostar SAXS (small angle X-ray scattering) instrument is available. For information about SAXS, please email Paulo F. Cobra<mailto:paulofcobra at gmail.com>.


  *   Other News:

  *   Telluride School on Biomolecular Structure and Dynamics: Theory and Experiment<https://telluridescience.org/schools/tsrc-summer-school-biomolecular-structure-and-dynamics-theory-and-experiment> (July 24-31, 2017; Telluride, CO).
  *   AMPERE NMR School<http://www.staff.amu.edu.pl/~school/> (June 25-July 1, 2017; Zakopane, Poland)



  *   NMRFAM Software News:
            New features in the latest version of NMRFAM-SPARKY
            - Mouse wheel (and/or +, - keys) to zoom in and out
            - Arrow keys to move around in spectrum view
            - Better contour level adjustment bar (two-letter-code: vC)
            - Updated peak list window (two-letter-code: lt)
            - Peak and assignment numbers in the peak list
            - Data height sorting option in the peak list options
            - Extra strip plot window (two-letter-code: sp / SP)
            - NMRFAM extensions in the popup menu (right-click)
            - Help manual updates for two-letter codes (two-letter-code: hn / hI)
            - A new conversion script for importing NMRView to UCSF (nv2ucsf)


  *   Donate to NMRFAM:
US deductible donations can be made to NMRFAM. Please write check payable to:
"UW Foundation, Account 112152802" and mail to:
                        Attn: Sarah Lynn Traver Saunders
                        Associate Administrative Program Specialist
                        University of Wisconsin - Madison
                        Department of Biochemistry
                        433 Babcock Drive
                        Madison WI 53706
For further information, please contact Ms. Saunders, Tel: 608-265-2507 or email<mailto:slsaunders2 at wisc.edu>


Spectrometers at NMRFAM:


·         NMRFAM Spectrometers availability (Live Schedule) for current and upcoming month can be view at http://www.nmrfam.wisc.edu/Spectrometer-Live-Calendar.htm

NMRFAM instrumentation
Spectrometer status:


Instrument

Cow name

Shortcut name

Probe(a)

 Status

Bruker AV-HD 900

Fleckvieh

900

c-tr

OK - cold 1H and13C preamps

Agilent VNS 800

Gelbvieh

800

c-tr

OK - cold probe

Bruker AV III 750

Telemark

750

c-tr

OK - cold probe

Bruker AV III 600

Dexter

600 I

c-qr1H{13C,15N,31P}

OK - SampleJet

Agilent VNS 600

Jaulan (not operational)

600 II

c-tr

OK - cold probe

Bruker AV III 600

Vosges (not operational)

600 III

c-tr

OK - cold probe

Bruker AV III 600

Kurgan

600 IV

c-tr-(1.7mm)

OK - SampleJet (cooled)

Bruker AV III 500

Kerry

500 I

c-tr(13C/15N)

OK-all cold preamp; SampleJet

Bruker AV III 500

Devon

500 II

c-tr/hrmas/BBFO/cpmas

OK - cold probe

BrukerNanostar

Bond

SAXS

N/A

OK - temperature control available

(a)rt - room temperature; c - cryogenic; tr - 1H{13C,15N} triple resonance; qr -1H{13C,15N,31P} quadruple resonance; multiple - multiple probes; VNS- Varian Direct Drive console; AV- BrukerAvance III console

 Below is a listing of the available software on our website that you are free to use or download and some associated publications:
1 - NMRFAM-SPARKY
2 - NMRbot
3 - HIFI-NMR
4 - LACS / PECAN
5 - PINE
6 - PINE-Sparky
7 - ADAPT-NMR
8 - ADAPT-NMR Enhancer
9 - Newton
10 - PACSY
11 - PONDERSOSA
12- PONDEROSA-C/S
13 - SPIDER
14 - RNA-PAIRS
15 - NMR Structure Tools
16 – rNMR

Please visit the NMRFAM software website<http://www.nmrfam.wisc.edu/software.htm> for more information on the above listed software.

References for some publications are:

Cornilescu G, Ramos Alvarenga RF, Wyche TP, Bugni TS, Gil RR, Cornilescu CC, Westler WM, Markley JL, Schwieters CD. Progressive Stereo Locking (PSL) – A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and other Small Molecules. ACS Chem Biol. 2017 Jun. PMID:28617580

Burley SK, Berman HM, Kleywegt GJ, Markley JL, Nakamura H, Velankar S. Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive. Methods Mol Biol. 2017. PMID: 28573592

Dashti H, Westler WM, Markley JL, Eghbalnia HR. Unique identifiers for small molecules enable rigorous labeling of their atoms. Sci Data. 2017 May. PMID: 28534867

Markley JL, Westler WM. Biomolecular NMR: Past and future. Arch Biochem Biophys. 2017 May. PMID: 28495511

Chae YK, Kim SH, Markley JL. Relationship between recombinant protein expression and host metabolome as determined by two-dimensional NMR spectroscopy. PLoS One. 2017 May. PMID:28486539

Cai K, Tonelli M, Frederick RO, Markley JL, Mitochondrial Cysteine Desulfurase and ISD11 Coexpressed in Escherichia coli Yield Complex Containing Acyl Carrier Protein. ACS Chem Biol. 2017 Mar. PMID:28233492

Cai K, Tonelli M, Frederick RO, Markley JL, Human Mitochondrial Ferredoxin 1 (FDX1) and Ferredoxin 2 (FDX2) Both Bind Cysteine Desulfurase and Donate Electrons for Iron-Sulfur Cluster Biosynthesis. Biochemistry. 2017 Jan. PMID:28001042


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Thanks.
Lai Bergeman
NMRFAM Administrator
RM 171, 433 Babcock Dr.
University of Wisconsin – Madison,
Madison WI 53706
lai.bergeman at wisc.edu
http://www.nmrfam.wisc.edu/
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