Table 4.
Data collection and refinement statistics
| Wild type | V270A–A273G | |
|---|---|---|
| Resolution range (Å)a | 46.6–1.86 (1.89–1.86) | 46.6–2.0 (2.03–2.00) |
| Cell dimensions | ||
| a, b, c (Å) | 78.5, 79.3, 91.9 | 78.6, 79.4, 92.0 |
| α, β, γ (°) | 115.5, 90.0, 117.1 | 115.5, 90.0, 117.1 |
| Number of unique reflections | 135,735 (5669) | 111,563 (5325) |
| Completeness (%) | 93.6 (79.1) | 95.3 (92.1) |
| Overall I/σ (I) | 7.1 (1.9) | 5.3 (2.0) |
| Rmerge (%) | 6.7 (31.8) | 6.8 (24.4) |
| R/Rfree (%) | 13.9/17.6 | 15.4/18.5 |
| R.m.s. deviations from ideal values | ||
| Bond lengths (Å) | 0.009 | 0.010 |
| Bond angles (°) | 1.55 | 1.55 |
| Protein residues | ||
| Ca2+ ions | 4 × 2 | 4 × 2 |
| Water molecules | 1907 | 1745 |
| Xylose molecules | 22 | 18 |
| Sulfate ions | 7 | 6 |
| PDB accession ID | 6T8E | 6T8F |
aValues in parentheses are for the highest resolution shell