Table 1 Crystallographic data collection and refinement statistics
From: BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin
| Â | Apo-BrlR | BrlR/c-di-GMP complex | BrlR-C/pyocyanin-analog complex | I3C-derivative BrlR/c-di-GMP complex |
|---|---|---|---|---|
Data collection | Â | Â | Â | Â |
Wavelength (Ã…) | 0.9792 | 0.9792 | 0.9792 | 1.54 |
Space group | P65 | I4 | P21 | I4 |
Cell dimensions | Â | Â | Â | Â |
 a, b, c (Å) | a = 111.8, b = 111.8, c = 260.2 | a = 135.9, b = 135.9, c = 94.6 | a = 39.7, b = 103.6, c = 39.8 | a = 136.1, b = 136.1, c = 95.4 |
 α, β, γ (°) | α = β = 90.0, γ = 120.0 | α = β = γ = 90.0 | α = γ = 90.0, β = 119.0 | α = β = γ = 90.0 |
 Resolution (Å) | 50–3.10 (3.21–3.10) | 50–2.50 (2.59–2.50) | 50–1.40 (1.45–1.40) | 50–2.80 (2.90–2.80) |
 Redundancy | 10.9 (11.4) | 7.3 (7.5) | 6.6 (6.5) | 7.5 (7.5) |
 Completeness (%) | 99.7 (100) | 99.9 (100) | 98.5 (99.7) | 100 (100) |
 I/σ(I) | 30.4 (7.5) | 27.2 (6.2) | 40.0 (10.1) | 25.9 (5.1) |
 Rmerge (%) | 8.1(50.2) | 7.1(49.3) | 8.4 (24.3) | 7.7(46.8) |
Refinement | Â | Â | Â | Â |
 Resolution (Å) | 38.84–3.11 (3.21–3.11) | 48.06–2.50 (2.58–2.49) | 34.79–1.40 (1.42–1.40) |  |
 Rwork/Rfree | 26.70/32.20 | 21.40/26.30 | 14.40/18.20 |  |
 No. of reflections | 32807 | 29936 | 54292 |  |
No. residues or atoms | Â | Â | Â | Â |
 Protein | 8683 | 4424 | 2388 |  |
 Ligand | 0 | 260 | 46 |  |
 Water | 0 | 169 | 520 |  |
 B-factors (Å2) | 118.0 | 61.0 | 23.0 |  |
 Protein | 118.0 | 60.5 | 20.7 |  |
 Ligand |  | 98.3 | 30.5 |  |
 Water |  | 60.4 | 34.4 |  |
R.m.s. deviations | Â | Â | Â | Â |
 Bonds (Å) | 0.004 | 0.006 | 0.005 |  |
 Angles (˚) | 0.853 | 1.025 | 0.858 |  |
Ramachandran plot (%) | Â | Â | Â | Â |
 Favored | 93.8 | 96.8 | 96.6 |  |
 Allowed | 5.9 | 3.2 | 3.4 |  |
 Outlier | 0.4 | 0 | 0 |  |
