TABLE 1.
Data collection and refinement statistics
| Sample | ΔTGEE |
|---|---|
| Data collection | |
| Resolution (Å) | 50-3.4 (3.52-3.40)a |
| Total measured reflections | 142,069 |
| Unique reflections | 33,940 |
| Completeness (%) | 97.4 (83.3) |
| Redundancy | 4.2 (2.4) |
| I/σ(I) | 11.0 (1.1) |
| Unit cell dimensions a, b, c (Å); β (°) | 109.1, 93.0, 125.7; 100.0 |
| Space group | P 21 |
| Rsym | 0.134 (0.652) |
| No. of monomers in an asymmetric unit | 3 |
| Vm (Da/Å3) | 3.0 |
| Refinement | |
| Resolution (Å) | 30-3.4 |
| Rcrystal/Rfree | 0.219/0.279 |
| r.m.s.d. bond (Å)/angle (°) | 0.009/1.5 |
| B-factor analysis (Å2) | |
| Wilson B | 86.0 |
| Mol A: FAD/FMN domain | 98.6/95.4 |
| Mol B: FAD/FMN domain | 93.8/160.0b |
| Mol C: FAD domain | 117.9 |
| Ramachandran analysis | |
| Most favored (%) | 71.6 |
| Allowed (%) | 26.0 |
| Generously allowed (%) | 1.8 |
| Disallowed (%) | 0.6 |
a
Numbers in parentheses are for the highest resolution shell
b
Only 78 of a total of 172 residues were included in the refinement