Table 1 Statistics of data collection and refinement.
| Â | dPPR-U 10 | dPPR-U 8 C 2 | dPPR-U 8 A 2 | dPPR-U 8 G 2 |
|---|---|---|---|---|
Data collection | ||||
 Space group | P212121 | P212121 | P212121 | P212121 |
 Cell dimensions | ||||
a, b, c (Ã…) | 52.73, 85.27, 95.10 | 51.43, 84.78, 94.36 | 52.55, 84.90, 95.90 | 52.06, 85.10, 95.40 |
α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
 Resolution (Å) | 40–2.20 (2.28–2.20) | 40–2.30 (2.38–2.30) | 47.7–2.60 (2.71–2.60) | 47.7–2.50 (2.61–2.50) |
 Rmerge (%) | 6.8 (56.8) | 7.2 (20.8) | 10.0 (46.5) | 8.2 (5.4) |
 I/σ | 21.1 (2.6) | 26.3 (3.2) | 16.7 (5.5) | 19.8 (4.9) |
 Completeness (%) | 99.0 (99.0) | 98.4 (87.9) | 99.8 (98.3) | 99.8 (98.5) |
 Redundancy | 3.7 (3.4) | 6.0 (5.8) | 8.6 (10.9) | 10.1 (12.8) |
Refinement | ||||
 Resolution (Å) | 38.90–2.19 | 38.67–2.29 | 46.08–2.60 | 47.70–2.50 |
 No. reflections | 22,260 | 18,753 | 13,769 | 15,113 |
 Rwork/Rfree (%) | 25.03/29.94 | 22.51/24.75 | 26.69/29.30 | 22.30/29.60 |
 No. atoms | ||||
Protein | 2,990 | 2,860 | 2,778 | 2,850 |
Ligand/ion | 204 | 208 | 198 | 225 |
Water | 76 | 67 | 41 | 49 |
 B-factors | ||||
Protein | 56.4 | 53.3 | 52.0 | 57.1 |
Ligand/ion | 44.2 | 49.3 | 41.3 | 49.5 |
Water | 54.1 | 52.6 | 47.2 | 46.8 |
 R.m.s. deviations | ||||
Bond lengths (Ã…) | 0.010 | 0.016 | 0.015 | 0.007 |
Bond angles (°) | 1.241 | 1.802 | 1.793 | 0.917 |
