Unit Cell parameters (Å, °) |
a=65.83, b=65.83, c=1 11.86 |
α=90, β=90, γ=90 |
Space group |
P43212 |
Resolution (last shell) (Å) |
50–2.05 (2.12–2.05) |
No. of total/unique reflections |
229000/16156 |
Rmerge (last shell) (%) |
0.071 (0.324) |
Redundancy (last shell) |
14.2 (14.1) |
Completeness (last shell) (%) |
100.0 (99.9) |
I/sigma (last shell) |
13.2 (9.3) |
Refinement |
|
No. of Residues |
213 |
No. of protein atoms |
1791 |
No. of water molecules |
144 |
No. of ligand atoms |
22 |
Rcryst (%) |
20.5 |
Rfree (%) |
24.2 |
R.M.S. Deviation from ideality |
|
Bond length (Å) |
0.0057 |
Bond angles (°) |
1.135 |
Ramachandran plot, residues in Most favored regions (%) |
94.98 |
Additional allowed regions (%) |
3.20 |
Generously allowed regions (%) |
1.82 |
Average B factor (Å2) |
30.85 |
Nonhydrogen protein atoms (Å2) |
29.78 |
Nonhydrogen ligand atoms (Å2) |
39.79 |
Water molecules (Å2) |
37.72 |