Molecular replacement

From CSBLwiki

Contents 1 Phaser 1.1 CCP4i 1.2 AutoMR 2 EPMR 3 CNS_SOLVE

Phaser

CCP4i

AutoMR

• By Phenix

phenix.automr native.sca model.pdb RMS=0.8 mass=32000 copies=2
phenix.automr native.sca coords='model.pdb model1.pdb model2.pdb' # use ensembles

1. blast search against PDB
2. get homologous PDBs
3. superimpose them (use UCSF chimera) (check identity)
4. build ensemble models
5. run phenix.automr on those models

EPMR

Download program

Howto-Tutorial - hardcopy

MR_tutorial.pdf

CNS_SOLVE

CNS_solve

current version is 1.21 (Oct. 2009)

Procedure

figure out space group (e.g. R3 -> 146)