Table 3. Data collection and refinement statistics*.
Data collection statistics | |
Space group | P4212 |
Cell dimensions | |
a, b, c (Å) | 151.9, 151.9, 165.8 |
α, β, γ, (Å) | 90, 90, 90 |
Resolution limit | 2.30–37.56 (2.30–2.42) |
Rpim | 4.4% (23.4%) |
Rmerge | 18.8% (80.5%) |
I/(σI) | 16.7 (3.2) |
Completeness | 86.6% (77.5%) |
Multiplicity | 17.4 (11.4) |
Refinement statistics | |
Resolution (Å) | 2.3 |
Total n°. of obs. | 1300495 |
Total n°. unique | 74567 |
Rwork/Rfree | 17.0% 21.4% |
No. Atoms | |
Protein | 14709 |
Ligand | 192 |
Water | 527 |
R.M.S deviations | |
Bond lengths (Å) | 0.010 |
Bond angles (°) | 1.3 |
Molprobity score | 8.45 (96th percentile) |
*Values in parenthesis are for the highest resolution shell.