Table 1.
Crystallographic Statistics
| Unit Cell and Data Collection | |
| space group | C222(1) |
| a, b, c (Å) | 40.93, 111.15, 153.43 |
| SSRL beamline | BL 1-5 |
| wavelength (Å) | 0.9794 |
| resolution (Å) | 3.00 |
| no. of observations | 33575 |
| no. of reflections | 7334 |
| redundancy | 4.6 |
| completenessa (%) | 99.7 (99.6) |
| 〈I〉/〈σI〉a | 9.7 (2.1) |
| Rsymm(I)a | 0.126 (0.340) |
| Refinement | |
| resolution range (Å) | 50.0–3.00 |
| no. of reflections >0.0σF | 7319 |
| R-factora | 0.297 (0.381) |
| Rfreea (5.0% of data) | 0.308 (0.454) |
| rmsd for bonds (Å) | 0.004 |
| rmsd for angles (deg)b | 1.24 |
| Model
| ||
|---|---|---|
| protein | residues | 〈B-factor〉 (Å2) |
| PAPS reductase | 2–220, 235–244 | 56.4 |
| Trx1 | 1–108 | 58.5 |
a
Values for the highest-resolution shell (3.11–3.00 Å) are in parentheses.
b
Ramachandran plot: 79.6% of residues in most favored regions, 18.4% in allowed regions, and 2.0% in generously allowed regions.