Table 2.
Crystallographic parameters and refinement statistics
| Adeh_3718 | Adeh_2942 | |
|---|---|---|
| Crystal & data parameters | ||
| a (Å) | 50.595 | 87.693 |
| b (Å) | 50.595 | 75.184 |
| c (Å) | 112.733 | 51.031 |
| α (°) | 90.0 | 90.0 |
| β (°) | 90.0 | 105.18 |
| γ (°) | 120.0 | 90.0 |
| Space group | P3121 | C2 |
| #mol/AU | 1 | 2 |
| VM (% solvent) | 2.8 (56) | 2.6 (53) |
| Wavelength (Å) | 0.97911 | 0.97903 |
| Resolution1 (Å) | 100–2.0 (2.02–2.00) | 100–2.0 (2.03–2.00) |
| R-merge1 (%) | 3.0 (19.6) | 6.1 (36.0) |
| Redundancy1 | 5.8 (4.6) | 2.3 (1.8) |
| Completeness1 (%) | 99.9 (100) | 90 (62) |
| Mean I/σ(I)1 | 53 (8) | 18 (2) |
| Refinement | ||
| Program used | Phenix | Phenix |
| Resolution range (Å) | 35–2.0 | 30–2.0 |
| No. of reflections | 21,799 | 37,771 |
| R-factor | 0.195 | 0.198 |
| R-free2 | 0.238 | 0.251 |
| Protein atoms (mean B-factor, Å2) | 1144 (40.0) | 2060 (38.5) |
| Solvent atoms3 (mean B-factor, Å2) | 81 (37.8) | 229 (45.2) |
| Rmsd bonds (Å) | 0.019 | 0.018 |
| Rmsd bond angles (°) | 1.7 | 1.7 |
| PDB accession code | 4K08 | 4K0D |
1
Values in parentheses are for the highest resolution shell.
2
Calculated from a random set of reflections (5%) not used in refinement.
3
Includes water and other ions refined in the structure.