Macromolecular structure determination

Created March 4, 2026

Updated on March 12, 2026

approved

This service provides end-to-end support for macromolecular structure determination, delivering experimentally validated three-dimensional structures of proteins and protein complexes ready for public deposition. The service includes construct design and optimisation, biochemical and biophysical sample preparation, quality control, and optimisation for structural studies. Structure determination workflows are based on X-ray crystallography and Cryo-electron microscopy (Cryo-EM) and include coordination of data collection, data processing, model building, refinement, and validation. Where appropriate, experimental data collection is carried out in collaboration with national and European partner facilities. The final outcome of the service is a fully validated macromolecular structure, suitable for deposition in public structural databases and for use in downstream functional, mechanistic, or translational studies. The service is offered to academic and industrial users within the IBISBA and ITINERIS frameworks.

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Basic
Abbreviation
MacroStruct
Research Infrastructure
IBISBA
Resource Providers
Webpage
Marketing
Description
This service enables researchers and innovators to obtain experimentally determined three-dimensional structures of biological macromolecules, such as proteins and protein complexes, ready for public deposition and downstream use. It provides an integrated pathway from prepared biological samples to a validated structural model, coordinating all steps required for structure determination using established structural biology methods, including X-ray crystallography and Cryo-electron microscopy. For users, the service removes many of the technical and organisational barriers that typically slow down or prevent successful structure determination. By centralising expertise in sample optimisation, data processing, model building, and validation, the service reduces the risk of failed experiments, shortens time to results, and ensures that the final structural models meet community standards for quality and reproducibility. This allows users to focus on scientific interpretation, hypothesis testing, and application of the structure rather than on managing complex technical workflows. The service is used by academic researchers, research institutes, and industrial partners working in areas such as molecular biology, biotechnology, drug discovery, and protein engineering. It is particularly valuable for users who need reliable structural information to support publications, database deposition, functional studies, or translational research, but who do not have direct access to the full range of structural biology expertise or infrastructure.
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Classification
Access Types
  • Virtual
  • Remote
  • Physical
Access mode
Peer Reviewed
Categories
  • Access physical and eInfrastructures
  • Processing and analysis
  • Sharing and discovery
  • Training and support
Scientific Domain
Natural Sciences
Scientific Sub-Domain
Natural Sciences. Biological Sciences
Sub Category
  • Access physical and eInfrastructures. Compute
  • Access physical and eInfrastructures. Data storage
  • Access physical and eInfrastructures. Instrument and equipment
  • Access physical and eInfrastructures. Material storage
  • Access physical and eInfrastructures. Network
  • Processing and analysis. Data analysis
  • Processing and analysis. Data management
  • Processing and analysis. Measurement and materials analysis
  • Sharing and discovery. Data
  • Sharing and discovery. Applications
  • Sharing and discovery. Development resources
  • Sharing and discovery. Samples
  • Sharing and discovery. Scholarly communication
  • Training and support. Consultancy and support
  • Training and support. Education and training
Target Users
  • Businesses
  • Research Projects
  • Researchers
  • Students
  • Research Organisations
  • Research Networks
  • Innovators
  • Research Groups
Availability
Geographic Availability
Worldwide
Language Availability
  • English (en)
  • Italian (it)
Location
Resource Geographic Location
Italy
Contact
Helpdesk Email
pietro.roversi@cnr.it
Main contact
Pietro Roversi
Public contact
pietro.roversi@cnr.it
Security Contact Email
pietro.roversi@cnr.it
Dependencies
Catalogue id
ITINERIS
Related Platforms
IBISBA; IBISBA-IT; ITINERIS
Related Resources
Protein production and purification services, to provide suitable macromolecular samples for structural analysis. Biochemical and biophysical characterisation resources, required to assess sample quality, homogeneity, and stability prior to structure determination.
Required Resources
Access to external data collection facilities for X-ray crystallography and/or Cryo-electron microscopy, when experimental data acquisition is performed at partner national or European infrastructures.
Maturity
Certifications
None
Change Log
Not applicable – first catalogue entry
Last Update
2026-01-05
Life Cycle Status
Under Construction
Open Source Technologies
Phenix; CCP4; Coot; RELION; CryoSPARC; EMAN2; UCSF Chimera; ChimeraX; PDB; wwPDB
Standards
wwPDB; Protein Data Bank (PDB); FAIR
Version
Not applicable
trl: Technology Readiness Level
6 - technology demonstrated in relevant environment
attribution
Funding Body
  • National Research Council (CNR)
  • European Commission (EC)
  • Ministry for Education, University and Research (MIUR)
Funding Programs
Other
Grant/Project Name
IBISBA-IT and ITINERIS
Management
Helpdesk Page
Privacy Policy
Order
Financial
Detailed informations
Provider
  • CNR-IBBA Milano
  • CNR-IBBA Lodi
system:type
Service
Management Info
Author
Maintainer
Version
1
Last Updated
March 12, 2026, 14:57 (UTC)
Created
March 4, 2026, 13:33 (UTC)
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