TABLE 4.
Parameters | Chi23 |
Diffraction data | |
Space group | P121 |
Unit cell | |
a, b, c (Å) | 68.62, 87.49, 88.84 |
α, β, γ (°) | 90.00, 95.30, 90.00 |
Resolution range (Å) | 50.00–1.80 (1.86–1.80)a |
Redundancy | 6.4 (6.5) |
Completeness (%) | 99.9 (99.9) |
Rmerge (%)b | 12.8 (31.6) |
I/σI | 30.3 (10.2) |
Refinement statistics | |
R-factor (%) | 21.5 |
Free R-factor (%) | 23.7 |
RMSD from ideal geometry | |
Bond lengths (Å) | 0.011 |
Bond angles (°) | 1.00 |
Ramachandran plot (%) | |
Favored | 97.70 |
Allowed | 2.30 |
Outliers | 0 |
Overall B-factors (Å2) | 18.51 |
aNumbers in parentheses refer to data in the highest resolution shell. bRmerge = ΣhklΣi| I(hkl)i - < I(hkl) > | /ΣhklΣi < I(hkl)i >.