4. Molecular replacement
The term molecular replacement refers to a family of techniques whose purpose is to use the presence of a macromolecule, macromolecule subunit or macromolecule fragment, in different crystallographic environments, to determine or improve initial phases.
This is the method of choice when the macromolecule to be studied (target molecule) is related to another, whose three-dimensional structure is known (probe molecule). Around 60% of the structures currently deposited at the PDB (§
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Molecular replacement
Bibliography
Bibliography
Websites
Integrative structural biology
on a European scale, Instruct-ERIC https://www.structuralbiology.eu
a French infrastructure, FRISBI http://frisbi.eu
Biocrystallography reference...
Software tools
Data collection :
• HKL2000/HKL3000, MOSFLM, XDS
• expert systems: xia2, autoproc
Phasing MIR, MAD, SAD
• SHARP, SOLVE, CRANK2,SHELX
Molecular replacement :
• Phaser, Molrep, AMoRe, ARCIMBOLDO
• expert systems: MrBUMP, BALBES, MoRDa, AMPLE, SIMBAD...
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The Ultimate Scientific and Technical Reference