Table 1.
Crystallographic Statistics of the Endo180 D1-4 Structure
| Crystal Form | Monoclinic | Trigonal |
|---|---|---|
| Synchrotron beamline | Diamond IO4-1 | Diamond IO4 |
| Wavelength (Å) | 0.92 | 0.98 |
| Space group | C2 | P3221 |
| Unit cell | ||
| a, b, c (Å) | 126.37, 92.37, 127.65 | 86.99, 86.99, 321.1 |
| α, β, γ (°) | 90, 100.31, 90 | 90, 90, 120 |
| Solvent content (%) | 62 | 59 |
| Resolution range (Å)a | 62.8–2.48 (2.54–2.48) | 75.3–3.36 (3.45–3.36) |
| Rmerge | 0.049 (0.481) | 0.181 (0.970) |
| Completeness (%) | 97.8 (98.4) | 99.4 (99.4) |
| Multiplicity | 3.3 (3.4) | 5.5 (5.6) |
| <I/σ(I)> | 15.4 (2.2) | 10.8 (2.3) |
| CC1/2 | 0.994 (0.783) | 0.989 (0.635) |
| Unique reflections | 50,150 | 20,824 |
| Protein atoms | 6,960 | 6,833 |
| Solvent atoms | 163 H2O, 4 Na+, 4 SO42– | |
| Rwork | 0.194 (0.282) | 0.220 (0.320) |
| Rfree | 0.244 (0.314) | 0.306 (0.409) |
| Rmsd bonds (Å) | 0.006 | 0.005 |
| Rmsd angles (°) | 0.90 | 0.98 |
| Ramachandran favored (%)b | 95.8 | 93.4 |
| Ramachandran outliers (%)b | 0 | 0 |
a
Values in parentheses are for the highest-resolution shell.
b
Calculated with MolProbity (Chen et al., 2010).