TABLE 1.
Data collection | |
Space group | P21 |
Cell dimensions | |
a, b, c (Å) | 50.63, 87.55, 95.84 |
α, β, γ | 90°, 90°, 90° |
Wavelength (Å) | 0.979 |
Resolution (Å) | 44.77-1.85 (1.95-1.85) |
Rmerge (%) | 10.4 (57.1) |
I/σI | 12.5 (3.6) |
Completeness (%) | 96.6 (91.9) |
Redundancy | 6.3 (6.4) |
Refinement | |
Resolution (Å) | 43.83-1.85 |
No. of reflections | 33,938 |
Rwork/Rfree (%) | 17.64/20.69 |
No. of atoms | |
Protein | 2902 |
Peptide | 69 |
Water | 267 |
B-factors (Å2) | |
Protein | 18.47 |
Peptide | 27.06 |
Water | 26.51 |
r.m.s.d. | |
Bond length (Å) | 0.0065 |
Bond angle | 1.178° |
Ramachandran values (%) | |
Most favored | 98.1 |
Additionally allowed | 1.6 |
Outliers | 0.3 |