Structural NMR Resource

Overview

The Structural NMR Resource provides the faculty and students of Albert Einstein with facilities for the analysis of molecular structure, dynamics, and interactions by NMR. The Resource, located in Ullmann B08, consists of Bruker DRX600 and DRX300 MHz spectrometers (purchased 1996), a new Varian INOVA600 MHz spectrometer (purchased 2003), a wetlab for sample preparations and graphic workstations for the processing and analysis of data. The Resource also has access to the NMR instruments at the New York Structural Biology Center.

Access Services

Reserve Einstein DRX300/DRX600/Inova600 (Group: AECOM) via FACES On-Line Scheduling System 

Service Fees

Pricing for services can be found in the core’s iLab site which is used for billing and invoicing. 

Equipment and Services

  • DRX600 NMR Spectrometer and UNITY INOVA600 NMR Spectrometer
    • Used mainly for longer (2 to 7 day) 2D to 4D experiments. With many long experiments being run, and the preparation of samples of variable stability to be timed properly, more planning is required in the scheduling of these instruments. The INOVA600 with CRYOGENIC probe has the highest sensitivity and is best suited for samples and experiments that are limited in sensitivity.
    • Each user gets their own account once operations procedures and training are completed (see NMR Facility manager for details)
  • DRX300 NMR Spectrometer
    • Used mainly for shorter, more routine experiments.
    • Each user gets their own account once operations procedures and training are completed (see NMR Facility manager for details)
  • NYSBC NMR Spectrometers and Operations
    • Assigned to consortium members as one week time blocks. Because these instruments have the highest sensitivity and are in greatest demand, they are best suited for samples and experiments that are limited in sensitivity and can be run within a one week block.
    • Submission of time requests to the NMR lab are processed weekly and are assigned a suitable slot on one of the instruments (see NMR Facility manager for details)
    • Schedule is posted at nysbc.net
  • Sample Preparation
    • Equipment and supplies necessary for preparing NMR samples are available:
      • nmr tube cleaner
      • stock of normal and special nmr tubes
      • nmr sample preparation supplies (deuterated solvents & buffers, chemical shift reference compounds, etc.)
      • micro pH electrode
      • "reserve" of labeled media for biomolecular labeling (D2O, 13C-glucose, 15N-NH4Cl)
      • refrigerator
      • benchtop centrifuge
      • heat blocks and water bath
      • weigh scale
  • Computing Facilities
    • Facilities include an SGI Origin 200 4-CPU server and several SGI and Linux workstations, color and B&W laser printers, and tape drives, zip drives and CD writers for data archiving. Many software packages are available for data processing and analysis such as:
      • XWINNMR - used to collect data on the Bruker spectrometers and for processing on- and off-line.
      • Vnmr/VnmrJ with BioPack - used to collect data on the Varian spectrometers and for processing on- and off-line.
      • nmrPipe - processing 2D, 3D, and 4D NMR data.
      • nmrView - viewing and analyzing processed 2, 3, and 4D NMR data.
      • XEASY - viewing and analyzing processed 2, 3, and 4D NMR data.
      • PIPP - peak picking for 2D, 3D, and 4D NMR data.
      • XPLOR/CNS - structure calculations and molecular dynamics simulations.
      • Dyana - structure calculations from distance and angular restraints.
      • AMBER - molecular mechanics and dynamics simulations.
      • MolMol - molecular graphics, with many extension specific for NMR.
      • SETOR - molecular graphics.
      • Midas - molecular graphics.
      • molscript - generates postscript figures of molecules.
  • Planning, assistance, and training are available and encouraged. The Resource Staff are always available to discuss experiments, for assistance in setting up experiments and processing data, and for training in use of the instruments. Training is typically done on an individual basis, but sessions on specific topics will be held periodically.

Staff

Scientific Director
Mark Girvin, Ph.D.
718.430.2724
mark.girvin@einstein.yu.edu 

Operations Director
Sean Cahill, Ph.D.
718.430.2035
sean.cahill@einstein.yu.edu 

 

Contact Us

Location: Ullmann B8

Email: sean.cahill@einstein.yu.edu
Phone: 718.430.2035

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