Unit-cell parameters (Å) |
a = 211.51Å, b= 61.29Å, c= 101.90Å, β=
96.69o
|
Space group |
C121 |
Wavelength |
1.541 |
Number of unique reflections |
19872 (1968) |
Resolution range (Å) |
43.64 – 3.30 (3.41–3.30) |
Completeness of data (%) |
99.79 (99.70) |
Redundancy |
3.0 (2.4) |
Rmerge (%) |
3.3 (41.3) |
I/(σ) |
2.4 (1.83) |
B. Refinement Statistics |
B. Refinement
Statistics |
No. of atoms: Protein, Ligand, Water |
7645 |
Rwork (%) |
0.245 |
Rfree (%) |
0.30 |
Average B factor (Å2) |
71.7 |
R.m.s.d.s from ideal geometry |
R.m.s.d.s from ideal
geometry |
Bond lengths (Å) |
0.002 |
Bond angles (о) |
0.44 |
Ramachandran plot (%) |
Ramachandran plot (%) |
Most favoured |
93.63 |
Additional allowed |
5.94 |