Table 2 Data collection and structural refinements of Arabidopsis dUTPase
Parameters | Apo dUTPase | Holo dUTPase |
|---|---|---|
PDB ID | 4OOQ | 4OOP |
System | Orthorhombic | Orthorhombic |
Space group | P212121 | P212121 |
Unit cell dimensions (Å) | ||
a | 69.9 | 70.1 |
b | 70.6 | 70.7 |
c | 75.0 | 75.1 |
Data collection | ||
Wavelength (Å) | 1.542 | 0.978 |
Resolution (scaling) range (Å) | 20.34–2.00 (2.1–2.0) | 31.97–1.5 (1.55–1.5) |
No. of observed reflections | 209,897 | 360,703 |
No. of unique reflections used | 25,874 | 59,499 (5804) |
I/s (I) | 41.6 (18.5) | 46.4 (8.6) |
Completeness (%) | 99.2 (98.5) | 95.0 (90.0) |
Rmerge (%) | 7.6 (17.0) | 7.0 (32.0) |
Refinement | ||
Resolution range (Å) | 20.34–2.00 (2.1–2.0) | 31.97–1.5 (1.55–1.5) |
Rwork (%) | 14.8 | 17.3 |
Rfree (%) | 19.6 | 20.8 |
No. of non-hydrogen atoms | 3287 | 3658 |
No. of water molecules | 345 | 552 |
RMS deviations from ideal values | ||
Bond lengths (Å) | 0.007 | 0.007 |
Bond angles (°) | 1.08 | 1.16 |
Mean B value (Å2) | 22.0 | 20.0 |
Interpretable residues (out of 166) | ||
Chain A | 26–156 | 25–157 |
Chain B | 25–154 | 25–166 |
Chain C | 26–152 | 26–152 |