Table I. X-Ray Data Collection and Refinement Statistics.
| Data Collection | ||
|---|---|---|
| Space group | P21212 (form A) | P1 (form B) |
| Cell dimensions | ||
| a, b, c (Å) | 134.8, 72.3, 96.8 Å | 87.9, 94.5, 96.5 Å |
| α, β, γ (°) | 90.0, 90.0, 90.0 ° | 75.2, 63.1, 83.8 Å |
| Wavelength (Å) | 0.979 | 0.979 |
| Resolution (Å) | 1.70 (1.73-1.70 Å) | 2.10 (2.14-2.10 Å) |
| Rsym | 0.069 (0.411) | 0.048 (0.202) |
| I/σI (Last shell) | 39.5 (6.1) | 17.8 (2.9) |
| Completeness (last shell) | 99.9% (100%) | 92.6% (87.1%) |
| Redundancy (last shell) | 14.3 (11.7) | 1.9 (1.7) |
| Refinement | ||
| Resolution (Å) | 50-1.70 Å | 50-2.1 Å |
| Number of unique reflections | 105,419 | 144,887 |
| Rwork/Rfree | 0.130/0.167 | 0.217/0.278 |
| Number of atoms | ||
| Protein | 5306 | 20945 |
| Ligand/Ion | 5 Mg2+, 1 formate | 4 Mg2+ |
| Water | 1165 | 1654 |
| B factors (Å2) | ||
| All | 16.51 | 14.77 |
| Main-chain | 18.24 | 17.53 |
| Side-chain | 21.36 | 18.46 |
| Waters | 43.17 | 32.46 |
| RMS deviations | ||
| Bond lengths (Å) | 0.017 | 0.008 |
| Bond angles (°) | 1.533 | 1.100 |
| Ramachandran Statistics | ||
| Most favored (%) | 91.2 | 90.9 |
| Additionally allowed (%) | 8.8 | 9.1 |
| Generously allowed (%) | 0 | 0 |
| Disallowed (%) | 0 | 0 |
| PDB ID | 4GZK | 4IEG |