TABLE 3.
DcuS and DctB refinement statistics
| Parameter | DcuS-(42-181) (with malate) | SeMet DctB-(28-286) (with succinate) |
|---|---|---|
| Bragg spacings (Å) | 30 to 1.45 | 20 to 1.7 |
| Space group | P3121 | P212121 |
| Cell parameters: a, b, c (Å) | 86.11, 86.11, 35.21 | 56.31, 90.98, 114.20 |
| Za/solvent content (%) | 1/48.7 | 2/49.9 |
| Ra/Rfreeb (%) | 21.9/23.2 | 16.2/19.9 |
| No. of unique reflections | 26,860 | 64,940 |
| No. of total atoms (non-hydrogen) | 1312 | 5139 |
| No. of protein atoms | 1151 | 4400 |
| No. of ligand atoms | 9 (malate) | 16 (succinate) |
| No. of waters | 152 | 721 |
| Average B factor (Å2) | 25.1 | 20.5 |
| Root mean square bond ideality (Å) | 0.010 | 0.015 |
| Root mean square angle ideality (°) | 1.6 | 1.7 |
| Protein Data Bank accession code | 3BY8 | 3BY9 |
a
R = (∑||Fo| - |Fc||)/∑| Fo|, where Fo and Fc denote observed and calculated structure factors, respectively.
b
Rfree was calculated using 5% of data excluded from refinement.