TABLE 1.
Diffraction data collection and structure refinement statistics
| Data collection | |
| Space group | P1 |
| Cell parameters | a = 39.36, b = 65.74, c = 77.12 Å α = 112.01°, β = 102.65°, γ = 90.19° |
| Resolution | 39.1-2.0 Å |
| Redundancy | 1.8 (1.5)a |
| Completeness | 81.2% (37.6%) |
| Average I/σ(I) | 5.3 (2.2) |
| Rsym | 10.4% (33.3%) |
| Refinement | |
| Resolution limits | 39.1-2.0 Å |
| No. reflections | 47,068 |
| Rwork | 23.0% |
| Rfree | 26.9% |
| Non-H atoms | |
| Protein | 4202 |
| Water | 505 |
| Glycerol | 2 |
| Sinefungin | 2 |
| Average B | 19.5 Å2 |
| Geometry | |
| r.m.s.d.b bond length | 0.007 Å |
| r.m.s.d. bond angle | 1.2° |
a Values in parentheses are those for the highest resolution shell.
b r.m.s.d., root mean square deviation.