Table 1.
Data collection and refinement statistics.
| Crystal Data | |
| Space Group | P42212 |
| Unit Cell Parameters (Å) | a=69.0 |
| b=69.0 | |
| c=95.9 | |
| Data Processing | |
| No. reflections, observed | 1054360 |
| No. reflections, unique | 38061 |
| Cuttoff (I/□) | 0 |
| Rmergea (overall) (%) | 7.4 |
| Completeness, overall (%) | 98.9 |
| Highest resolution shell (Å) | 1.55-1.50 |
| Rmergea (outer shell) (%) | 46 |
| Completeness, outer shell (%) | 94.8 |
| Model Refinement | |
| Resoloution range (Å) | 50-1.5 |
| Cuttoff (F/□F) | 0 |
| R-factorb (%) | 20.1 |
| No. of reflections | 63183 |
| Rfree (for 2053 reflections; %) | 24.2 |
| No. of protein atoms | 3290 |
| No. of vanadium ions | 1 |
| No. of sodium ions | 1 |
| No. of sulfate ions | 1 |
| No. of water molecules | 276 |
| No. of other non-protein atoms | 13 |
| B factor model | Individual |
| RMSD from ideality: | |
| Bond lengths (Å) | 0.007 |
| Bond angles (deg) | 1.7 |
| Improper angles (deg) | 1.0 |
| Dihedral angles (deg) | 22.7 |
a
Rmerge= ∑|Iobs − Iavg|/∑Iavg.
b
R-factor= ∑|Fobs − Fcalc|/∑|Fobs|.