Computational protocol: Structure and Activity of a Novel Archaeal β-CASP Protein with N-Terminal KH Domains

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Protocol publication

[…] Single-wavelength anomalous dispersion (SAD) data were collected to 3.1 Å at the zinc peak (1.2820 Å), at the ID29 station at the ESRF. These data were processed with DENZO and SCALEPACK () and solved by molecular replacement in P41212 using the program BALBES () with the coordinates of the human CPSF-73 (PDB code 2i7v) as the search model. Two molecules were located in the asymmetric unit, corresponding to a solvent content of 72%. SHARP () and DM () were used for density modification. The initial structure was built using BUCCANEER () and improved with cycles of model building using QUANTA (Accelrys Inc., San Diego, CA) and refinement using REFMAC () with TLS and NCS. PROCHECK () was used for structure validation. SAD data of the SeMet crystals were collected to 3.5 Å at the selenium peak (0.9739 Å), at ID29 station at the ESRF and were processed in the same way as the data collected at the Zn peak. […]

Pipeline specifications

Software tools Buccaneer, PROCHECK
Application Protein structure analysis
Organisms Methanothermobacter thermautotrophicus
Chemicals Zinc