Data collection and processing | |
---|---|
Beamline | SSRF BL19U1 |
Wavelength (Å) | 0.9785 |
Space group | P212121 |
Cell dimensions | |
a, b, c (Å) | 34.24 46.58 83.18 |
α, β, γ (°) | 90 90 90 |
Resolution (Å) | 40.64–1.78 (1.844–1.78) |
Unique reflectionsa | 13,316 (1294) |
Rmerge | 0.072 (0.363) |
CC1/2 | 0.994 (0.988) |
I/σ(I) | 40.5 (3.78) |
Completeness (%) | 99.89 (99.92) |
Redundancy | 12.1 (9.3) |
Refinement | |
---|---|
Rwork | 0.210 |
Rfree | 0.243 |
No. of non-hydrogen atoms | 986 |
Protein | 892 |
Ligand | 4 |
Water | 90 |
R.m.s.d | |
Bond lengths (Å) | 0.006 |
Bond angles (°) | 0.85 |
Ramachandran plot (%) | |
Favored | 95.69 |
Allowed | 4.31 |
Outliers | 0.00 |
B-factors (Å2) | |
Average | 45.24 |
Protein | 44.97 |
Ligand | 30.00 |
Water | 48.50 |