CCRC NMR Spectroscopy Facility
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CCRC NMR Facility
The CCRC NMR spectroscopy facility, under the direction of Professor James H. Prestegard, is used to determine molecular structures of carbohydrates and proteins and to investigate the structural and dynamical basis of protein-carbohydrate interactions. The CCRC NMR Facility consists of seven high-field Agilent spectrometers equipped for high-resolution liquids and semi-solids experiments. To initiate an analytical service contract, please contact Parastoo Azadi (azadi@ccrc.uga.edu, 706-542-0629). Technical inquiries about the facility or NMR services should be directed to John Glushka (glushka@ccrc.uga.edu, 706-542-4483).GRA-UGA 800 MHz NMR Regional Facility
The GRA-UGA 800 MHz NMR Regional Facility is located at the CCRC and is available to researchers seeking the advantages of high-field systems ( field-induced orientation, high sensitivity and spectral dispersion). Cold probe installed with flow cell option.
Southeast Collaboratory for High-field Biomolecular NMR 900 MHz spectrometer
The SECNMR 900 MHz spectrometer has been recently installed at the CCRC. Please follow the link for further information.
Spectrometer descriptions
The 300 MHz can be used routinely for both proton and carbon observe, but requires a probe change for P31. The 500 requires a probe change for C13 or P31 observe. The 600 requires a probe change for automated sample handling with either a conventional flow probe or the CapNMR microflow probe.
| Spectrometer | 300 MHz | 500 MHz(wide bore) | 600 MHz |
| Console | Varian Mercury | Varian Inova | Varian Inova |
| RF Channels | 2 | 3 | 4 |
| Gradients | z | z | z |
| Probes | 5mm X{H} ATP 5mm H{X} 5mm H,C,P,F |
5mm H{CN} 5mm X{H} 8mm H{X} 5mm C{HN} CPMAS Solids |
5mm H{CN} 3mm H{X} H{CN} flow-probe New! Protasis CapNMR H{X} MicroFlow |
Laboratory facilities, workstations, and software
Standard laboratory facilities and supplies are available for sample preparation. SUN and PC workstations running Felix (MSI), VNMR and NMRPipe are available for data processing. Data storage to CD, DVD or 4mm DAT tape is available on site.
Facility policies
NMR data can be obtained via a service or a collaborative arrangement with CCRC personnel, or directly by researchers after adequate training on the spectrometers. Training will be provided free of charge on the 300MHz instrument. We reserve the right to confer or rescind spectrometer privileges dependent on training level, time elapsed since last session, and treatment of the spectrometer. The qualified user will be able to reserve time using FACES, our web based scheduling program.
Charges for usage
Qualified users will be charged for the time scheduled on the spectrometer. For service work or assistance additional operator charges apply and a quote will be provided. For collaborative projects intended for co-authored publications, specific arrangements should be made with the appropriate CCRC faculty or staff member.
The following rates apply to “routine” samples of sufficient purity and amount, and with adequate supporting information (e.g. known literature data) for a straightforward analysis. Beyond simple 1D proton data, a typical sample might require a few 2D experiments and a day of analysis. More difficult samples will typically require an initial evaluation and some discussion of the cost estimate. Sessions that require probe changes or additional hardware setup will be charged accordingly.
Rates (USD/Hour)
Peak: 8 am - 8 pm M - FOff-peak: 8 pm - 8 am M - F and all day Sat and Sun
| Cost Category | 300 MHz peak/off-peak |
500 MHz peak/off-peak |
HyperSense (includes 500 use) |
600 MHz peak/off-peak |
800 MHz peak/off-peak |
900 MHz peak/off-peak |
| Academic or Nonprofit |
$3.00 / $1.50 | $6.00 / $3.00 | $16.00 | $10.00 / $5.00 | $12.00 / $6.00 | $16.00 / $8.00 |
| Corporate * | $6.00 / $4.50 | $14.00 / $11.00 | $28.00 | $25.00 / $20.00 | $37.00 / $31.00 | $75.00 / $67.00 |
* Corporate rates include cost recovery amoritized over the expected life of the instrument.
Nonprofit rates only cover maintenance costs.
Training of users is covered by the above hourly charges.
Manager/Technician running samples or providing analysis: $50.00 / hour (in addition to any hourly charges listed above)
Analytical Services and Sample Requirements
Samples should be pure and contain < 50 mM aprotic salts. Mixtures and impure samples may be assessed qualitatively, but generally are not suitable for NMR analysis. For very high MW polysaccharides, broad lines in the spectra may hinder the analysis. We recommend that a lower molecular weight fragment (e.g. repeating unit, backbone without side chains, de-acetylated, etc.) also be provided if possible. To reduce the time for data analysis, any supporting literature data and/or analogous compounds should accompany the sample.
| 1D Proton | 2D Proton (e.g.TOCSY) | 1D , 2D Carbon (e.g.HSQC) | |
Analysis |
Identify pure N,O-linked oligosacch. Estimate purity or major components in mixtures. |
Identify residues and linkages. Locate substituents. |
1D: Identify expected cmpd. 2D: Identify residues, linkages. |
Amounts |
~50 nanomoles or ~10 ug per sugar residue (.eg. 60 ug for hexasaccharide) | ~100 nanomoles | 1 micromole |
Approx. time* |
30 min | 4 hours per 2D | 8 hours |
*On 500MHz, does not include operator time.
Research Groups
The following research groups are primary users of the NMR facility. Initial contact should be with the facility manager, however, collaborations
or other inquiries may be directed to specific researchers.
| Research Group | Areas of Interest |
| James H.Prestegard Professor of Biochemistry and Molecular Biology, and Chemistry Varian/GRA Eminent Scholar of NMR Spectroscopy jpresteg@ccrc.uga.edu 706-542-6281 |
Development of NMR methods for determining structures of proteins and carbohydrates, and their interactions. |
| William York Assistant Professor of Biochemistry and Molecular Biology will@ccrc.uga.edu 706-542-4628 |
Structural analysis of plant cell walls. |
| Russell W. Carlson Professor of Biochemistry and Molecular Biology, and Technical Director, Plant and Microbial Carbohydrates will@ccrc.uga.edu 706-542-4439 |
Molecular basis of the interaction between a bacterium and its plant or animal host. Structures of Lipopolysaccharides. |
| Robert J. Woods Assistant Professor of Biochemistry and Molecular Biology, and Chemistry rwoods@ccrc.uga.edu 706-542-4454 |
Development and Application of Computational Methods. |
| Geert-Jan Boons Professor of Chemistry gjboons@ccrc.uga.edu 706-542-9161 |
Synthesis of Oligosaccharides. |
UGA section of the Northeast Structural Genomics Consortium (NESG); Dr. Hsiau-Wei (Jack) Lee
Dept. of Chemistry NMR Facility; Dr. Greg Wylie
Dept. of Biochemistry and Molecular Biology; Prof. J. Urbauer