Table 1 Data Collection and Refinement Statistics for rSTING alone and rSTING- 2′3′-cGAMP complex.
From: Rat and human STINGs profile similarly towards anticancer/antiviral compounds
Data | rSTING140–341 | rSTING155–341 |
|---|---|---|
+2′3′cGAMP | ||
Space group | C2 | P41212 |
Unit Cell: a, b, c (Å) | 138.9 75.5 87.8 | 77.2 77.2 152.1 |
α, β, γ (°) | 90 115.3 90 | 90 90 90 |
Resolution (Å) | (2.0–1.9) | (1.6–1.55) |
Rmerge (%)b | 7.8(52.5) | 5.2(57.2) |
Mean I/sigma(I) | 14.21(2.94) | 20.1(3.45) |
Completeness (%) | 96.9(93.6) | 99.8(100) |
Number of measured reflections | 193088(30085) | 480508(43063) |
Number of unique reflections | 63573(9860) | 67310(6032) |
Refinement | ||
Resolution range(Å) | 50–1.9 | 50–1.55 |
Rwork (%)/ Rfree (%) | 18.12/23.04 | 18.70/21.21 |
No.atoms | ||
protein | 6569 | 3020 |
Ligand | 45 | |
Water | 600 | 410 |
B factors | ||
Protein | 24.00 | 20.0 |
Ligand | 28.90 | 19.50 |
Water | 29.10 | 29.70 |
R.m.s.deviations | ||
Bond lengths(Å) | 0.008 | 0.012 |
Bond angles(°) | 1.20 | 1.65 |
Ramachandran favored (%) | 96 | 98 |
Ramachandran outlines (%) | 0.49 | 0 |
