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 | | Crystal | 5-FOA-ScDHOase | | Wavelength (Å) | 0.9 Å | | Resolution (Å) | 44.57–2.50 (2.589–2.5) | | Space group | P21 | | Cell dimension a, b, c (Å)/β (°) | 85.47, 88.59, 103.57/95.3 | | Redundancy | 2.0 (2.0) | | Completeness (%) | 98.05 (99.81) | | <I/σI> | 8.2 (1.2) | | CC1/2 | 0.997 (0.80) |
| | Refinement | | Resolution (Å) | 44.57–2.50 | | No. of reflections | 52420 | | Rwork/Rfree | 0.205/0.248 | | No. of atoms | | Ligands | 56 | | Macromolecules | 11376 | | Zinc | 8 | | Water | 186 | | Protein residues | 1456 |
| | r.m.s deviations | | Bond lengths (Å) | 0.010 | | Bond angles (°) | 1.29 |
| | Ramachandran plot | | Favored (%) | 96.45 | | Allowed (%) | 3.55 | | Outliers (%) | 0 | | PDB entry | 7CA0 |
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Values in parentheses are for the highest resolution shell. CC1/2 is the percentage of correlation between intensities of random half datasets.
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