TABLE 1.
Data collection | |
Space group | P1 |
Cell dimensions | |
a, b, c (Å) | 90.1, 108.4, 114.3 |
α, β, γ (°) | 105.9, 103.7, 111.4 |
Wavelength (Å) | 0.87260 |
Resolution (Å)a | 50-3.1 (3.15-3.10) |
Rmerge | 10.7 (41.1) |
I/σ(I) | 11.8 (2.2) |
Completeness (%) | 97.1 (87.6) |
Redundancy | 2.8 (2.3) |
Refinement | |
Resolution (Å) | 3.1 |
No. reflections | 63130 |
Rwork/Rfree (%) | 20.6/25.5 |
No. atoms | 25,820 |
Protein | 25,729 |
Water | 91 |
Average B-factor | 64.4 |
Protein | 64.5 |
Water | 39.6 |
Root mean square deviation | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.03 |
a Values in parentheses are for highest-resolution shell.