Research Article

Complexed Crystal Structure of Saccharomyces cerevisiae Dihydroorotase with Inhibitor 5-Fluoroorotate Reveals a New Binding Mode

Table 1

Data collection and refinement statistics.

Data collection
 Crystal5-FOA-ScDHOase
 Wavelength (Å)0.9 Å
 Resolution (Å)44.57–2.50 (2.589–2.5)
 Space groupP21
 Cell dimension a, b, c (Å)/β (°)85.47, 88.59, 103.57/95.3
 Redundancy2.0 (2.0)
 Completeness (%)98.05 (99.81)
 <I/σI>8.2 (1.2)
 CC1/20.997 (0.80)

Refinement
 Resolution (Å)44.57–2.50
 No. of reflections52420
Rwork/Rfree0.205/0.248
 No. of atoms
  Ligands56
  Macromolecules11376
  Zinc8
  Water186
  Protein residues1456

r.m.s deviations
 Bond lengths (Å)0.010
 Bond angles (°)1.29

Ramachandran plot
 Favored (%)96.45
 Allowed (%)3.55
 Outliers (%)0
PDB entry7CA0

Values in parentheses are for the highest resolution shell. CC1/2 is the percentage of correlation between intensities of random half datasets.