TABLE 1.
Parameters | Values |
---|---|
Data collection | |
Space group | P21212 |
Unit cell (Å) | 99.73, 146.09, 49.96 |
Resolution (Å) | 27.19–2.95 (3.02–2.95)a |
Total no. of reflections | 17,732 (847) |
Unique reflections | 3094 (170) |
Completeness (%) | 99.5 (93.1) |
Redundancy | 5.7 |
Rmerge (%) | 6.5 (43.4) |
I/σI | 25.6 (3.4) |
Refinement statistics | |
No. of reflections | 15,581 |
Rwork/Rfree (%) | 26.3/29.2 |
No. of atoms | |
Protein | 4233 |
Water | 33 |
B-Factor | |
Protein | 44.5 |
Water | 25.14 |
Root mean square deviation | |
Bond lengths (Å) | 0.005 |
Bond angles (degrees) | 0.953 |
a Values in parentheses correspond to the highest resolution shell.
b Rmerge = ΣhklΣi Ii(hkl) − (I(hkl))|/ΣhklΣiIi(hkl), where Ii(hkl) is the intensity of the ith observation of reflection hkl and (I(hkl)) is the average intensity of the i observations.