Table 1.
Crystal | TLR8Z-loop |
Data collection | |
X-ray source | PF-AR NE3A |
Wavelength, Å | 1.0000 |
Space group | R32 |
Unit cell parameters, Å | |
a | 171.5 |
b | 171.5 |
c | 301.3 |
Resolution, Å | 2.6 |
Completeness, % | 100.0 (100.0) |
Redundancy | 19.5 (19.5) |
Rmerge, I* | 0.127 (1.146) |
Average, I/σ(I) | 17.3 (3.1) |
Refinement | |
Resolution range, Å | 133.2–2.6 |
No. of reflections used | 49,947 |
Model | 1×TLR8 |
R, %† | 20.6 |
Rfree, %‡ | 23.9 |
rmsd | |
Bond length, Å | 0.012 |
Bond angles, ° | 1.77 |
Values in parentheses are for the shell with the highest resolution.
Rmerge(I) = Σ|I − <I>|/ΣI, where I is the diffraction intensity.
R = Σ|Fo − Fc|/ΣFo, where Fo and Fc are the observed and calculated structure amplitudes, respectively.
Rfree is an R value for a 5% subset of all reflections, but was not used in the refinement.