TABLE 1.
Data collection | |
Space group | P212121 |
Cell dimensions | |
a (Å) | 66.65 |
b (Å) | 75.51 |
c (Å) | 78.51 |
α (degrees) | 90.00 |
β (degrees) | 90.00 |
γ (degrees) | 90.00 |
Resolution (Å) | 30.00-1.65 |
Rmerge | 0.085 (0.35) |
I/σI | 14.9 (4.0) |
Completeness (%) | 97.7 (85.5) |
Multiplicity | 6.8 (4.4) |
Average mosaicity | 0.44 |
Refinement | |
Resolution (Å) | 35.42-1.65 (1.69-1.65) |
No. of reflections | 44,824 |
Rwork/Rfree | 0.18/0.20 |
No. of atoms | 3527 |
Protein | 3019 |
Acetate/ion | 4/3 |
Water | 497 |
B-Factors (Å2) | |
Protein | 15.4 |
Acetate/ion | 19.0/12.0 |
Water | 30.8 |
r.m.s deviations | |
Bond lengths (Å) | 0.012 |
Bond angles (degrees) | 1.554 |
Ramachandran statistics | |
Favored (%) | 98.9 |
Allowed (%) | 0.5 |
Outlier (%) | 0.5 (Gly373) |