Index of /bzr/series-70/ccp4i2/demo_data

	Name	Last modified	Size	Description
	Parent Directory		-
	LigandTutorial.pdf	2017-05-24 10:36	517K
	README.html	2017-05-24 10:36	2.7K
	datasets_list.xml	2017-05-24 10:36	1.0K
	vapd/	2017-05-24 10:36	-
	rnase/	2017-05-24 10:36	-
	resources/	2017-05-24 10:36	-
	mdm2/	2017-08-09 16:50	-
	hypf/	2017-05-24 10:36	-
	glyco/	2017-05-24 10:36	-
	gere/	2017-05-24 10:36	-
	gamma/	2017-05-24 10:36	-
	ceue/	2017-05-24 10:36	-
	ceue-ligand/	2017-05-24 10:36	-
	beta_blip/	2017-05-24 10:36	-
	baz2ba/	2017-05-24 10:36	-
	baz2b/	2017-05-24 10:36	-
	CDK1CyclinBCKS2/	2017-05-24 10:36	-

CCP4i2 demo data

The demo data sets provide a set of examples that you can copy to your project directory and that can be solved quickly as an introduction to CCP4i2.

Introduction

• GammaA small structure that can be solved by either experimental phasing or molecular replacement.
• GerEA small structure with non-crystallographic symmetry that can be solved by either experimental phasing or molecular replacement. SAD and MAD data are available.
• HypfA small structure with unmerged data that can be solved by either experimental phasing or molecular replacement. SAD data are available.
• RNAseA small structure with non-crystallographic symmetry that can be solved by either experimental phasing or molecular replacement. SAD and SIRAS data are available.

Molecular replacement

• Beta-BlipA difficult molecular replacement problem.
• CDK2/CyclinB/CKS2A ternary complex MR problem.
• CeuEA medium sized structure with non-crystallographic symmetry that can be solved by molecular replacement. Unmerged intensities are available.

Ligands

• BAZ2B
• Fragment-soaked BAZ2B A ligand pipeline problem starting from an isomporphous structure.
• CeuE 4-LICAM complexA ligand complex of the Ceue protein.
• GlycoA a structure and reflection data of a fungal glycoprotein containing many extended N-glycans with some sugars in higher-energy conformations.
• MDM2MDM2 bound to the inhibitor nutlin 3A.

• VapDA small structure in a highly-symmetric spacegroup that can be solved by either experimental phasing or molecular replacement.