The facility provides instrumentation and collaborative assistance for:
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The facility provides instrumentation and collaborative assistance for:
X-ray structure determination, display, and analysis of macromolecular structure are performed using a variety of software.
Mac Pro graphics workstation
All crystallographic software has been installed on this workstation.
Ab initio protein modeling is performed using a variety of software. A Mac Pro graphics workstation contains all of the necessary crystallographic software.
A tool for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.
Coot displays maps and models, and allows model manipulations such as:
A software suite for the automated determination of macromolecular structures using X-ray crystallography methods.
A suite of programs covering all aspects of crystallographic structure determination, refinement and analysis.
A set of programs for direct structure solution and refinement with high-resolution diffraction data.
A tool for processing X-ray data collected by the Rigaku Saturn 944+ CCD detector.
The Protein Data Bank is the single worldwide repository for the processing and distribution of 3-D structure data of large molecules of proteins and nucleic acids.
We can visualize and analyze structures deposited in this database using a range of software.
A tool for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.
Coot displays maps and models, and allows model manipulations such as:
A software suite for the automated determination of macromolecular structures using X-ray crystallography methods.
A suite of programs covering all aspects of crystallographic structure determination, refinement and analysis.
A set of programs for direct structure solution and refinement with high-resolution diffraction data.
A tool for processing X-ray data collected by the Rigaku Saturn 944+ CCD detector.
A free and open-source molecular graphics system for visualization, animation, editing, and publication-quality imagery. PyMOL is scriptable and can be extended using the Python language. It supports Windows, Mac OSX, Unix, and Linux.
A free viewing system for PDB coordinate files that runs on Mac PPC, Windows, Unix, and Linux systems. Open source versions are also available.
A 3D graphics and molecular modeling program for the simultaneous analysis of multiple models and for model-building into electron density maps.
The Crystal Phoenix is the ideal protein crystallography dispenser, featuring accuracy, speed, and precision to make it the perfect instrument for sitting drop, hanging drop, and microbatch reactions.
Nikon's top-of-the-line stereo microscope, the SMZ1500, covers a zoom range from 0.75x to 11.25x and offers sophisticated accessories that rival those of advanced compound microscopes. The setup allows scientists to see and photograph any specimen, from macro views to high-magnification micro visualization.
Tryptophan fluorescence at 360 nm, following deep UV excitation at 280 nm, is the basis for this rapid and noninvasive imaging microscope for distinguishing protein and salt crystals in situ.
The walk-in crystallization room is a temperature-controlled (4/15/21°C) crystallization tray storage/incubation room with capacity for thousands of trays.
The Rock Imager182 with superior optics is an automated imaging system for protein crystallization. This easy-to-use robot incubates and captures superior quality images of up to 182 microplates on a user-defined schedule.
The manual 18X zoom stereomicroscope provides bright-field images and uniformity in intensity. The SMZ18 has improved S/N ratios and bright, high-contrast images, even in the low-magnification range.
A state-of-the-art dynamic light-scattering instrument matched with powerful but user-friendly OmniSIZE software to give the most sensitive and accurate hydrodynamic radius.
We will assist investigators with manuscript and preparation (including figures) for projects that involve 3D structure determination by X-ray crystallography at the facility.
BioSAXS-2000 2D-Kratky system - for solution small angle scattering. The BioSAXS-2000 2D-Kratky system is a high-performance compact SAXS-WAXS solution for the home lab.
Licensed software available for use through the X-Ray Crystallography Facility includes:
The MicroMax 007HF is Rigaku's standard lab rotating anode microfocus source and is the latest generation of the original microfocus rotating anode generator. The MicroMax 007HF is current and reliable and is the one component that has been retained from previous instrumentation.
Optics: Varimax-VHF Arc)Sec optics – The new Varimax VHF optics reduces the beam size to around 90microns, has a five-fold higher fluence, two times higher divergence and yields a 20% brighter X-ray flux. The finer beam lowers the background scatter improving signal-to-noise ratio. This modification yields much better results during X-ray crystal screening and X-ray data collection of tiny crystals, and does not adversely affect experiments with crystals of larger size.
Goniometer: Universal 4-circle kappa goniometer – The 4-axis Kappa goniometer (omega, kappa, phi and theta axis) for sample orientation with a detector arm is a popular choice for scientists who require the combined flexibility and precision to collect efficient and accurate data. The goniometer incorporates the following features: new motors allowing it to move twice as fast as its predecessor and with very high accuracy, a symmetrical theta range for flexibility in gathering data in reciprocal space, a new beam stop holder design to allow the detector to be positioned nearer to the sample and a telescoping theta arm for long detector distances.
Detector: Rigaku HyPix-Arc 150° - Now with Hybrid photon counting (HPC). The new HPC detectors are shutterless, large area, highly sensitive detectors that enable fast data collection from weakly diffracting crystals, address samples with large unit cells and enable accurate intensity measurement of Friedel pairs (necessary for SAD and chirality experiments).
Cryo-unit: Oxford Cryo-stream - For cooling crystals during data collection. Cools to -180°C.