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3-D Structure of Human Serum Albumin

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Mark E. Bier
Director, CMA
mbier@andrew.cmu.edu 
412-268-3540 (office) 
412-268-6897 (fax) 


Roberto R. Gil

Director, NMR Facilities

rgil@andrew.cmu.edu

412-268-4313(office)


Carnegie Mellon University 
Department of Chemistry 
Mellon Institute Bldg.
4400 Fifth Avenue
Pittsburgh, PA 15213-2683
 
 

*Publications using the NMR instruments should acknowledge the Center for Molecular Analysis and the instrument grant used: NSF grant number CHE-0130903 and CHE-1039870 for the NMR Instrumentation

NMR Facility


The NMR facility is located in Room 302 of the Mellon Institute.

We have two Bruker NMR spectrometers: the 300 and 500 MHz Avance systems. We can perform Multinuclear and Multidimensional NMR Experiments in both Direct and Inverse Detection Mode using Gradient-Assisted Spectroscopy (GRASP). (Funded in part by NSF grant # CHE-9808188 and CHE-1039870)

 

Bruker Avance™ 500
500 MHz (1H Frequency) NMR Instrument

Specifications:

  • Actively Shielded Superconducting Magnet with 5.4 cm bore, operation field at 11.744 Tesla. Bruker Orthogonal Shim System (BOSS ™-3) with 36 low current and low heat dissipation gradient shims   
  • Two RF channels high performance digital NMR console with digital receiver unit (DRUTM)
  • BVT-3200 Variable Temperature Control Unit with Low Temperature accessory (Nitrogen Evaporator)  and BCU-05, pre-cooling and stabilization accessory, for ultra-precise temperature control from near ambient conditions down to 0oC sample temperature
  • Equipped with Z-only Gradient Assisted Spectroscopy (GRASP ™ II) accessory for the generation of gradients with up to 50 Gauss/cm  
  • SampleXpress automatic sample changer, microprocessor controlled with a maximum capacity of 60 samples.
  • Multinuclear Inverse Broadband (BBI) probe (5mm sample diameter), 1H observe with broadband decoupling coil tunable from 109Ag  to 31P  with Automatic Tuning and Matching (ATM) capabilities
  •  Multinuclear Broadband Fluorine Observe (BBFO PLUS) probe (5 mm sample diameter) with digital tuning covering the range from 15N to 31P as well as 19F with 1H decoupling. Automatic Tuning and Matching (ATM) capabilities
  •  Multinuclear broadband observe (BBO) probe (10 mm sample diameter) with digital tuning covering the range from 109Ag to 31P with 1H decoupling. Automatic Tuning and Matching (ATM) capabilities
  • 1 mm TXI (1H, 13C, 15N) microprobe with Atomatic Tuning and Matching (ATM) capabilities.

 

Windows XP Workstation:
Bruker NMR Suite Software package for acquisition and processing multinuclear and multidimensional NMR data. The suite includes: TopSpin 3.0, TOPSPINPLOT, ICON-NMR, NMR-CHECK, and NMR-SIM

 

Bruker Avance™ 300
300 MHz (1H Frequency) NMR Instrument

Specifications: 

  • Superconducting Magnet with 5.4 cm bore, operation field at 7.049 Tesla. Bruker Orthogonal Shim System (BOSS ™-1) with 20 shim gradients  
  • Two RF Channels  
  • Equipped with Z-only Gradient Assisted Spectroscopy (GRASP ™ II) accessory for the generation of gradients with up to 50 Gauss/cm  
  • Variable Temperature Control Unit with Low Temperature accessory (Nitrogen Evaporator)  
  • Multinuclear Broadband Flourine Observe (BBFO) probe (5mm sample diameter) to directly observe nuclei covering the range from 15N to 31P, as well as 19F with 1H decoupling. Automatic Tuning and Matching (ATM) capabilities  

Windows XP Workstation:
Bruker NMR Suite Software package for acquisition and processing multinuclear and multidimensional NMR data. The suite includes: TopSpin 2.1, TOPSPINPLOT, ICON-NMR, NMR-CHECK, and NMR-SIM


Capabilities:

Our Facility is capable of performing a wide variety of NMR experiment. Some of the most common experiments are listed below by category.

Routine NMR Spectroscopy

Standard 1H, 13C, 31P, 19F, 15N, 29Si NMR experiments

Decoupling Techniques

Homonuclear Decoupling
1D Nuclear Overhauser Difference Spectroscopy

Dynamic NMR Spectroscopy

High and Low Temperature Experiments
Saturation Transfer Experiments
EXSY (EXchange SpectroscopY)

1D Multipulse Sequences

Measurement of the Spin-Lattice Relaxation Time T1
Measurement of the Spin-Spin Relaxation Time T2
13C NMR APT (Attached Proton Test)
13C DEPT- 45, 90 and135
Water Suppression by Presaturation
Water Suppression by the Jump and Return Method

Multinuclear Multidimensional NMR Spectroscopy

2D Homonuclear Correlation Experiments: COSY-Experiment and its variants, NOESY, ROESY, TOCSY.
2D Heteronuclear Correlation Experiments: HETCOR, COLOC, HMQC, HSQC, HSQC-DEPT, HMBC.

NMR Spectroscopy with Pulsed Field Gradients

Measurement of Diffusion Constant using the Pulsed Gradient Spin-Echo Experiment
WATERGATE (water suppression experiment)
Water Suppression by Excitation Sculpting
Plus all the Gradient-Selected Multidimensional Experiments like gs-COSY, gs-TOCSY, gs-NOESY, gs-HSQC, gs-HMBC, etc. 

For training, please contact Roberto Gil (rgil@andrew.cmu.edu), MI Room 302, telephone: x8-4313