TABLE 1.
Data collection | |
Space group | P3221 |
Cell dimensions | |
a, b, c (Å) | 72.47, 72.47, 177.95 |
α, β, γ (degrees) | 90, 90, 120 |
Resolution (Å) | 51.29–2.701 |
Rsym or Rmerge | 0.08 (0.76)a |
I/σI | 12.99 (1.95) |
Completeness (%) | 97.98 (97.3) |
Redundancy | 3.5 (3.4) |
Refinement | |
Resolution (Å) | 50–2.8 |
No. of reflections | 53,149 |
Rwork/Rfree | 24.55/28.22 (31.23/35.34) |
No. of atoms | 2151 |
Protein | 2133 |
Ligand/ion | 12 |
Water | 6 |
B-Factors | |
Protein | 51.0 |
Ligand/ion | 58.3 |
Water | 24.4 |
Ramachandran favored (%) | 94 |
Ramachandran outliers (%) | 0.71 |
Root mean square deviations | |
Bond lengths (Å) | 0.004 |
Bond angles (degrees) | 0.87 |
a Values in parentheses are for the highest resolution shell.