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.