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Enhancing the Drug Discovery Cycle
Services in Protein Crystallography
at the Swiss Light Source
BioValley Life Sciences Week 2013
Santina Russo, Expose GmbH, September 2013
From Crystal to Structure
X-Rays SLS
Protein crystals
from pharmaceutical
binding mode
for next cycle
Diffraction experiment
at the SLS
Simulation of lense via
Fourrier transformation
in atomic scale
The Services
Data Collection Service
Structure Solution Service
• testing protein crystals
• structure solution by
various methods
• data collection
• processing and analysis
• support in planning of
Since 2009
The service is designed for
regular users of the SLS
Billing occurs by time
• model building and
• support in interpretation of
the results
Since 2012
Company Philosophy
Our goal: provide the best service possible for our customers
→ Company vs. synchrotron owned data collection services
We try to fit as neatly as possible into the customers existing
processes and workflow
→ no predefined service packages of milestones
→ no standardized information flow
→ no standardized sample containers
→ no standardized sample sheets
Benefits for customers far
Customers oversees, eg. USA or Japan:
Get their crystals measured at a state of the art Synchrotron,
independently of local Synchrotrons and their shutdown
- without any travel expenses for their personnel
- no travel time for their personnel
- no personnel missing at home to solve structures
samples sent by plane
data collected by Expose
data on HD or optionally
transfered directly
transport back home
Benefits for customers near
Local customers, eg. Switzerland, Germany, France:
Different situation: they would not suffer big travel expenses or
time losses; BUT: sample shipment is fast also → time gain
→ process from sending crystals to seeing the structure takes only
one day
enabled by - fast transport of the samples
- automated scripts for on-the-fly transfer of data
- automated scripts for processing, structure solution
and structure refinement
Just-in-time production
automatic processing, structure solution, refinement
automatic data transfer
crystal transport
data collection
one day
→ in the morning the industry crystallographers browse though the
new sets of compound structures → just-in-time production
→ Data collection service provides a time gain
→ Acceleration of the structure-based drug discovery cycle
Advantages for the SLS
Constant communication between us and the MXgroup is useful for both sides
We attract industry users from USA, Japan
→ PSI sells more shifts
Gained money is partly put in beamline development
→ results in benefit for the user community
PSI Technology Transfer
MX-group at the SLS
Sonia Reber for management of dewar shipment
Our customers near and far
Santina Russo, Expose GmbH, September 2013