Table 1.
Data collection and refinement statistics of bovine XDH/XO crystal structures.
| XDH | XO | XDH+NAD+ | XDH+NADH | |
|---|---|---|---|---|
| Space group | C2 | P21 | C2 | P21 |
| Unit cell axes (Å) | a=167.6 b=124.4 c=148.2 |
a=133.2 b=73.0 c=142.3 |
a=166.0 b=123.2 c=147.6 |
a=100.0 b=146.7 b=107.0 |
| Unit cell angle β (°) | 91.1 | 98.8 | 91.0 | 106.0 |
| Resolution limits (Å) | 20–1.65 | 38.1–2.30 | 20.0–1.90 | 20.0–2.20 |
| I/σ I (Last Shell) | 25.5 (2.9)* | 9.5 (3.7) | 23.6 (3.8) | 14.8 (3.6) |
| Linear R-factor (%) | 5.3 (45.4) | 11.7 (34.7) | 6.4 (38.0) | 9.0 (37.7) |
| Completeness All Data (%) | 99.9 (99.9) | 99.3 (96.1) | 99.8 (98.9) | 99.9 (99.9) |
| Overall redundancy | 4.27 | 3.40 | 5.33 | 3.08 |
| R-cryst (%) | 17.7 | 21.8 | 18.1 | 19.8 |
| R-free (%) | 19.6 | 27.9 | 21.4 | 24.0 |
| Number of atoms (All) | 22322 | 19797 | 21842 | 21497 |
| Number of water molecules | 1966 | 651 | 1509 | 1140 |
| Number of glycerol molecules | 24 | 5 | 13 | 10 |
| Number of Ca2+ ions | 2 | 2 | 2 | 2 |
*
Numbers in brackets refer to the highest resolution shell.