Service Packages

The X-ray Crystallography Lab offers the following range of services associated with single crystal structure analyses of small molecules. The estimated service hours are given behind the service packages: 

PAK-1: Unit cell determination only  (~2-3 hrs)
(Note: the results may be not very accurate depending on the quality of your crystal!)  

PAK-2: Intensity data collection package (~12-14 hrs), which includes:
Choice of data collection at room temperature
Determination of unit cell parameters and crystal system
Intensity data collection using Mo radiation
Delivery of data files to the client as arranged individually

PAK-3: Full package, which includes the items in PAK-2 (~ one or a few days depending on the structure), plus:
Determination of space group
Absorption corrections, as appropriate
Structure solution
Full structure refinement
To the extent that the crystal and data quality permits, this includes anisotropic refinement of non-hydrogen atoms and inclusion of H-atoms in the model
Reasonable efforts to resolve any disorder or other structural difficulties, if present
Preparation of a comprehensive report with complete experimental details and full tables of atomic coordinates, bond lengths & angles, torsion angles and atomic displacement parameters
Preparation of one molecular illustration

Optional Services:  This Package is available with the full package, which includes:
Preparation of additional specialized molecular illustrations
Comprehensive analysis of the structural features, including hydrogen bonding, unusual geometrical features and intermolecular interactions
Preparation of results for publication if it is intended to publish them in the open literature
Consultancy on matters relating to crystallography and structural chemistry
Comprehensive analysis of the structural features, including hydrogen bonding, unusual geometrical features and intermolecular interactions
Preparation of results for publication if it is intended to publish them in the open literature
Consultancy on matters relating to crystallography and structural chemistry

Fees

For internal user
PAK-1: $20 per hour
PAK-2: $150 (Note: Unsuccessful attempt of data collection: service hours *$20, 1 hr minimum and 5hr maximum).
PAK-3: $150(PAK-2) + $150 = $300
Optional Service: service hours * $20

For external user
PAK-1: $20 per hour
PAK-2: $300 (Note: Unsuccessful attempt of data collection: service hours *$20, 1 hr minimum and 5hr maximum).
PAK-3: $300 (PAK-2) + $300 = $600
Optional Service: service hours * $20