Index of /cvmfsmonitor/repository/facilities.gridpp.ac.uk/ccp4/release-7.0-updated/ccp4-7.0/share/ccp4i2/demo_data/glyco

	Name	Last modified	Size	Description
	Parent Directory		-
	4iid.mtz	2018-04-05 16:35	3.4M
	4iid.pdb	2018-04-05 16:35	1.3M
	INFO.txt	2018-04-05 16:35	159

CCP4i2 demo data: Glyco (PDB:4IID)

This dataset can be used to test the carbohydrate validation task.

The glycoprotein presented here is a glycosyl hydrolase of the family GH3, from Aspergillus aculeatus, and shows long High-mannose N-glycans. The resolution of the data is 2.3Å, which implies that torsion restraints should be used in order to keep realistic chemistry during the refinement. In this case, however, several carbohydrates deviate from their minimal-energy conformation. The task 'Validation of carbohydrate structures' may be used to detect those outliers and flag them up in 'Manual model rebuilding'.

Data files

• 4iid.pdb Deposited structure.
• 4iid.mtz MTZ file containing amplitudes and sigmas.