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Crystallization conditions and crystal properties for the protein-ligand complexes simulated here.
| fV | cV | fQ | cQ | |
|---|---|---|---|---|
| pH | 5.0 | 6.0 | 8.5 | 7.5 |
| Solvent | Formate | Cacodylate, PEG | HEPES, PEG | MgCl2, TRIS, PEG |
| Resolution (Å) | 1.7 | 1.9 | 2.0 | 2.0 |
| Space group | P 43 21 2 | P 1 21 1 | P 21 21 21 | P 21 21 21 |
| T (K) | 100 | 100 | 100 | 100 |
| Mean B (Å2) | 20 | 25 | 11 | 32 |
| Solvent content (%) | 30 | 40 | 31 | 43 |
