Table 3.
Data Collectiona and Refinement Statistics for the BaBshA
| Complex with UDP and Malate | |
|---|---|
| BaBshA-UDP-malate | |
| Data collection | |
| Space group | P41 |
| Cell dimensions | |
| a, b, c (Å) | 226.3, 226.3, 75.4 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.000 |
| Resolution (Å) | 226-3.31 (3.39-3.31)b |
| I/σ | 12.3 (1.3) |
| Completeness (%) | 99.2 (93.9) |
| Redundancy | 5.7 (2.7) |
| Refinement statistics | |
| Resolution (Å) | 226-3.31 |
| No. reflections | 54419 |
| R work | 0.229 |
| R free | 0.259 |
| Molecules per asymmetric unit (AU) | 8 |
| No. of amino acid residues per AU | 2961 |
| No. of waters per AU | 288 |
| Average B-factors | 69.7 |
| Stereochemical ideality | |
| Bond length rmsd (Å) | 0.009 |
| Bond angle rmsd (°) | 1.97 |
| Φ,ψ preferred (%) | 93.7 |
| Φ,ψ allowed (%) | 5.90 |
| Φ,ψ outliers (%) | 0.40 |
| PDB entry | 3MBO |
a
Collected at SER-CAT beamline BM-22 of the Advanced Photon Source.
b
Numbers in parentheses represent data for the highest resolution shell.