Table 1.
Data collection, phasing and refinement statistics
One crystal was used for the collection of VAT-1 data for structure refinement. The statistic values for the highest resolution shell are shown in parentheses. Rpim is the precision-indicating merging R factor.
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 67.16, 131.72, 174.03 |
| α, β, γ (°) | 90.0, 90.0, 90.0 |
| Data set | |
| Wavelength (Å) | 1.00000 |
| Resolution range (Å) | 50.0–2.20 |
| Outer shell (Å) | 2.25–2.20 |
| Rmerge | 0.080 (1.042) |
| Rpim | 0.034 (0.441) |
| I/σI | 11.2 (1.6) |
| Completeness (%) | 99.7 (94.6) |
| Redundancy | 3.4 (3.3) |
| CC½ | 0.998 (0.648) |
| Refinement | |
| Resolution (Å) | 50–2.20 |
| No. reflections | 78589 |
| R/Rfree | 0.222/0.254 |
| No. atoms | |
| Protein | 9985 |
| Nitrate ion | 32 |
| Water | 158 |
| B-factors (Å2) | |
| Protein | 59.1 |
| Nitrate ion | 87.7 |
| Water | 56.8 |
| Root-mean-square deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.3 |
| PDB accession code | 6K9Y |