Computational protocol: N-Terminal T4 Lysozyme Fusion Facilitates Crystallization of a G Protein Coupled Receptor

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Protocol publication

[…] Crystals were harvested and frozen in liquid nitrogen directly without using additional cryo-protectant. Diffraction data from 15 different crystals were measured using the GM/CA-CAT minibeam at 23-ID-D, Advance Photon Source, Argonne National Labs. The data were processed with HKL2000 and the structure solved by molecular replacement using Molrep. Further model rebuilding was performed by using Coot and the structure was refined with Phenix . The validation of the final structural model was performed using Molprobity . Data processing and refinement statistics are shown in . The root mean square deviaion value of 0.32 was calculated using pymol. The cutoff value is 3 and 268 out of 282 Cα atoms of the two structures (4GBR and 2RH1) were included in the structural alignment. Solvent accessible surface area calculation was also performed using Pymol. […]

Pipeline specifications

Software tools Molrep, Coot, PHENIX, MolProbity, PyMOL
Application Protein structure analysis
Chemicals Catecholamines