Instrument Catalog

**Chemical Crystallography User Policy**
Short Name: Small Molecule Diffraction Policy
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 7
Date of Acquisition: September 2013

Co-authorship suggestions
Please note that single crystal diffraction/model prices do not fluctuate based on effort or time and are not waived even if the diffraction model warrants co-authorship. Should you publish data collected in our center, please acknowledge our facility in your manuscripts or grant applications as follows:
 
This research made use of the Chemical and Biophysical Instrumentation Center at Yale University (RRID:SCR_021738).
 
Dr. Mercado is available to assist with the diffraction components of experiments and review manuscripts. Co-authorship should be considered if:
  1. The structural information in the report is derived primarily from diffraction data and constitutes a significant part of the writing.
  2. The structure determination is non-routine, such as involving variable temperature studies, phase changes, or specialized collection environments.
  3. The final structure required a substantial amount of time and technical expertise. For instance:
    • Problematic twinning or significant disorder in structure refinement.
    • Careful consideration of anomalous dispersion (e.g., absolute stereochemistry).
    • Determination of the model by MicroED.

Center Use Policy

  • Staff mounted samples will be mounted at the convenience of their schedule. 

  • Samples can be submitted on the table outside KCL 3

  • To independently use the single crystal diffractometers, you must meet one of the following subpoints:

    • Completed an instrument orientation workshop held in the CBIC (~4 hour time commitment) 

    • Completed CHEM 511 and 512

    • Completed an equivalent course/training at a different institution with a recommendation from the instructor/instrument manager.

  • Independent access enables X-ray facility use for your own research.

  • Independent use does not enable facility use for you to collect data on behalf of other researchers at Yale.

    • Exceptions are granted on a case-by-case basis. 

DLS Dynamic Light Scattering Wyatt DynaPro PlateReader II
Short Name: DLS
Instrument Type: Scattering, Instrument Type: Solution Biophysics, Instrument Type: Structural Science
Instrument Location: KCL 3
Date of Acquisition: October 2013

Dynamic light scattering measures the diffusion rate of molecules or particles in solution by observing the fluctuations in scattered light from a laser passing through a sample. The sensitivity of DLS increases with increasing molecular size, with a typical lower size limit of 0.5 nanometers and upper size limit of 10 micrometers.

Typical applications for DLS include:

  • Screening macromolecules prior to crystallization trials
  • Measuring the stability of protein samples for NMR analysis
  • Monitoring molecular aggregation
  • Characterizing nanoparticles

The DynaPro PlateReader II is set up to make these measurements in 96, 384, or 1536 well plates using as little as 5 microliters of sample.

Standard Operating Procedure

Pilatus3R HPC on a 007 VHF+Arc)Sec X-ray Source
Short Name: 007c
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 7
Date of Acquisition: October 2016

The Pilatus3R 200KA detector on our Rigaku 007 HF+ rotating anode with VHF Arc)Sec optics is suitable for solving small molecules samples. This instrument is run by the CBIC Staff. λ = 0.7107 Å

Rigaku CCD on 007HF+ X-ray Source
Short Name: 007a
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 7
Date of Acquisition: October 2009

The Saturn 944+ CCD detector on our Rigaku 007 HF+ rotating anode X-ray source with HF optics is suitable for solving small-molecule and protein structures by single-crystal X-ray diffraction.  This instrument can also be used to screen crystals before sending them to an x-ray beam line at a synchrotron. λ = 1.5418 Å

Rigaku CCD on 007HF+Arc)Sec X-ray Source
Short Name: 007b
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 7
Date of Acquisition: June 2016

The Rigaku Saturn 944HG CCD detector on our Rigaku 007 HF+ rotating anode X-ray source with HF Arc)Sec optics is suitable for solving small molecules samples. This instrument is run by the CBIC Staff. λ = 1.5418 Å

Rigaku MiniFlex600 Powder X-ray Diffractometer
Short Name: PXRD
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 11
Date of Acquisition: December 2004

This powder diffractometer can characterize crystallinity, crystal phases, and, in many cases, the identity of solid samples. Our instrument has a sealed-tube copper X-ray source, a scintillation counter with high dynamic range, and Bragg-Brentano geometry with slits providing high resolution for flat powder samples. λ = 1.5418 Å

Rigaku XtaLAB Mini II with a hybrid pixel detector
Short Name: mini2
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 11
Date of Acquisition: May 2022

The XtaLabMini II is a fully functional benchtop single-crystal X-ray diffractometer with a CCD detector. λ = 0.7107 Å

Rigaku XtaLAB Synergy, Dualflex, HyPix-Arc 100
Short Name: syn
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Structural Science
Instrument Location: KCL 11
Date of Acquisition: January 2023

Copper and silver X-ray sources are available. The curved image plate detector allows high dynamic range and collection out to a 2Θ angle of 144 degrees in a single image to yield high-resolution single-crystal data.

TTP Lab-tech Nanoliter Pipetting System
Short Name: Mosquito
Instrument Type: Structural Science
Instrument Location: SCL 26
Date of Acquisition: October 2009

TTP Labtech’s mosquito allows for the creation of protein crystallization screens with several multi-component drops per well, even in 96-well hanging drop set-ups.

Xenocs Xeuss 3.0 Small/Wide X-ray Scattering System
Short Name: SAXSWAXS
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Scattering, Instrument Type: Solution Biophysics, Instrument Type: Structural Science
Instrument Location: SCL 26
Date of Acquisition: December 2022

The Xeuss 3.0 offers a maximum flexibility of measurement configurations to get the best possible data quality on any type of sample.

 

In particular, the following key features enable the user to optimize experiments or results:

 
  • High flux settings adapted for fast kinetics embedded in a low background camera
  • Largest surface of detection moveable all the way from WAXS to long distance SAXS to optimize resolution and signal-to-noise
  • Long distance SAXS settings for measuring large characteristic dimensions (up to 900 nm depending on the Xeuss 3.0 model)
  • Optional USAXS module to characterize  large structures ( > 2.5 µm)
XT H 225 Computed Tomography Scanner
Short Name: microCT
Instrument Type: Imaging, Instrument Type: Structural Science
Instrument Location: SCL 26
Date of Acquisition: May 2018

Micro-CT is a 3D imaging technique utilizing X-rays to see inside an object, slice by slice.  Micro-CT, also called microtomography or micro computed tomography, is similar to hospital CT or “CAT” scan imaging but on a small scale with greatly increased resolution. Samples can be imaged with pixel sizes as small as ~4 micron and objects can be scanned up to ~50 cm in diameter.

The versatile XT H 225 scanner can be used to cover a wide range of applications, including the inspection of plastic parts, electronics and complex mechanisms as well as researching materials and natural specimens.

The scanner can be fit with a rotating anode, reflection, or transmission target. The rotating anode produces the most X-rays, which is good for highly absorbing material, but has the lowest resolution. The transmission target has the best resolution, but produces the least amount of X-rays. The reflection target is typically installed and has a balance between X-ray intensity and resolution.  If your needs require the rotating or transmission target, please inquire in advance about scheduling.

XtaLAB Synergy-ED
Short Name: Synergy-ED
Instrument Type: Diffraction (X-ray and electron), Instrument Type: Imaging, Instrument Type: Scattering, Instrument Type: Structural Science
Instrument Location: KCL 7
Date of Acquisition: January 2025

The Synergy-ED is a state-of-the-art electron diffractometer designed for Microcrystal Electron Diffraction (MicroED) / 3D Electron Diffraction (3DED) experiments. It enables high-resolution structural analysis of nanocrystalline materials that are too small for conventional X-ray diffraction techniques.
 
Key Features
Wavelength:
Operates at an electron wavelength of ~0.0251 Å with a 200 kV accelerating voltage, providing high-resolution diffraction data.
 
Temperature Range:
Capable of measuring samples from room temperature down to 100 K, allowing for studies of temperature-dependent structural changes.
 
Viable Grain Size:
Suitable for nanocrystals and microcrystals ranging from several hundred nanometers to less than 10 microns.
 
Sample Types
The Synergy-ED is optimized for a broad range of crystalline materials, including:
  • Small organic molecules (e.g., pharmaceuticals, natural products)
  • Inorganic nanomaterials
  • Metal-organic frameworks (MOFs) and zeolites
  • Peptides and small proteins
  • Polymers and hybrid materials
Applications
The Synergy-ED provides critical structural insights across multiple fields, including:
 
Pharmaceutical Research:
  • Polymorph Studies: Determines different crystal forms of a compound, crucial for drug formulation and stability.
  • Phase Transitions: Investigates temperature- or pressure-induced structural changes.
Materials Science & Nanotechnology:
  • Grain Boundary Analysis: Characterizes defects, interfaces, and grain orientations in polycrystalline materials.
  • Nanocrystalline and Amorphous Phase Identification: Helps differentiate between ordered and disordered structures.
Heterogeneous Sample Analysis:
  • Sample Mixtures: Can resolve and identify multiple crystalline phases within complex mixtures.
  • Solid-State Chemistry: Provides insight into phase purity and composition.