Table 1.
Crystallographic data and refinement statistics
Data collection | |
Wavelength (Å) | 1.2536 |
Space group | C2 |
Cell parameters (Å) | a = 745.4, b = 149.6, c = 80.5 α = γ = 90, β = 94.7 |
Molecules in A.U. | 24 |
Resolution range (Å)a | 50.0–3.9 (4.2–3.9) |
Unique reflections | 78 630 |
Data redundancya | 6.7 (6.6) |
Completeness (%)a | 97.6 (98.4) |
I/σ(I)a | 11.7 (2.1) |
Rmerge (%)a | 15.2 (96.3) |
Mosaicity | 0.35 |
Wilson scaling B factor (Å2) | 168.55 |
Model and refinement | |
Resolution range (Å) | 50.0–3.94 |
Rwork (%) | 27.0 |
Rfree (%) | 32.6 |
Reflections observed | 73 366 |
Reflection test set | 3886 |
Number of protein atoms | 3464 |
RMSD bond lengths (Å) | 0.0028 |
RMSD bond angles (Å) | 0.77 |
Average B factor (Å2) | 176.5 |
aStatistics for the highest data resolution shell are shown in parentheses.