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UA BIOC 585 - Crystal Symmetry & Space Groups

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1 Crystal Symmetry & Space Groups • 230 ways to pack objects into crystals • 65 ways to pack chiral objects • Asymmetric Unit: unique portion of crystal (can be part of a molecule) • Unit Cell: portion of the crystal with maximal crystal symmetry; contains one or more asymmetric units. • International tables: http://it.iucr.org/ Packing in two dimensions2 2- and 3-fold Rotation and Screw Axes3 Space Group Definitions4 PDB Entry for Space Group C2 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 1/2+X,1/2+Y,Z REMARK 290 4555 1/2-X,1/2+Y,-Z5 Particle Symmetry • Some macromolecules have multiple subunits and internal symmetry • The crystallographic asymmetric unit may contain part of, all of, or multiple copies of the oligomer • Example 1: GSNOR, P1, 4 dimers • Example 2: TS, multiple crystal forms for dimer For example: PDB 2FTN, space group I213 1TLC, space group


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UA BIOC 585 - Crystal Symmetry & Space Groups

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