Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C
Northeast Structural Genomics Consortium (NESG)
Northeast Structural Genomics Consortium
3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY
STRUCTURE DETERMINATION WAS PERFORMED BY RUNNING CYANA AND ASDP IN PARALLEL USING NOE-BASED CONSTRAINTS AND PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS FROM TALOS+. CONSENSUS PEAK ASSIGNMENTS WERE SELECTED AND USED IN ITERATIVE REFINEMENT WITH CYANA. THE 20 CONFORMERS OUT OF 100 WITH THE LOWEST TARGET FUNCTION WERE FURTHER REFINED BY SIMULATED ANNEALING IN EXPLICIT WATER BATH USING THE PROGRAM CNS WITH PARAM19 FORCE FIELD
0.871 mM [U-100% 13C; U-100% 15N] HR4490C, 100 mM sodium chloride, 5 mM DTT, 0.02 % sodium azide, 10 mM Tris-HCl, 50 uM DSS, 90% H2O/10% D2O
0.6 mM [5% 13C; U-100% 15N] HR4490C, 100 mM sodium chloride, 5 mM DTT, 0.02 % sodium azide, 10 mM Tris-HCl, 50 uM DSS, 90% H2O/10% D2O
Brunger, Adams, Clore, Gros, Nilges and Read
Zimmerman, Moseley, Kulikowski and Montelione
Structural Genomics, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, PSI-Biology, Protein Structure Initiative, GENE REGULATION