Table 2.
Data collection and refinement statistics
| phADPGK apo | phADPGK/8-Br-AMP | |
|---|---|---|
| Data collection | ||
| Wavelength | 0.9184 | 0.9184 |
| Resolution range | 44.63–2.0 (2.072–2.0)a | 37.36–1.81 (1.875–1.81) |
| Space group | P 32 2 1 | C 1 2 1 |
| Cell dimensions | ||
| a, b, c (Å) | 77.14, 77.14, 133.89 | 15.84, 74.71, 62.95 |
| α, β, γ (°) | 90.00, 90.00, 120.00 | 90.00, 99.46, 90.00 |
| Rmeas | 26.4 (183.5) | 10.9 (69.4) |
| I/σI | 11 (1.9) | 9.17 (1.81) |
| Completeness (%) | 99.9 (99.2) | 97 (96) |
| Multiplicity | 19.9 (20.0) | 3.39 (3.5) |
| CC½ | 0.997 (0.556) | 0.996 (0.732) |
| Refinement | ||
| Resolution (Å) | 2.0 | 1.8 |
| No. of reflections | 31,827 (3092) | 46,878 (4097) |
| Rwork/Rfree | 16.83/22.10 | 16.08/20.19 |
| No. of atoms | 3779 | 4238 |
| Protein | 3562 | 3656 |
| Ligand/ionb | 47 | 60 |
| Ramachandran favored (%) | 98 | 99 |
| Ramachandran allowed (%) | 2 | 1 |
| Ramachandran outliers (%) | 0 | 0 |
| B-factors | ||
| Protein | 33.66 | 27.59 |
| Ligand/ion | 74.16 | 25.62 |
| Water | 37.86 | 38.48 |
| r.m.s.d. | ||
| Bond lengths (Å) | 0.012 | 0.007 |
| Bond angles (°) | 1.15 | 0.95 |
a Values in parentheses are for highest-resolution shell.
b Seven sulfate ions and two ethylene glycol molecules are in the apo structure. Two 8-Br-AMP molecules are in the holo structure.