Table 1. Diffraction data statistics for crystals of the red-absorbing form of AnPixJ-GAF2.
Values in parentheses are for the highest resolution shell.
| Native data | Iodide SAD data | |
|---|---|---|
| Data processing | ||
| X-ray source | PF BL-5A | PF BL-5A |
| Wavelength (Å) | 1.0000 | 1.6000 |
| Temperature (K) | 100 | 100 |
| Resolution (Å) | 50–1.80 (1.86–1.80) | 50–2.20 (2.28–2.20) |
| Total reflections | 389475 | 792364 |
| Unique reflections | 28763 | 16094 |
| Redundancy | 13.5 (13.3) | 49.3 (26.5) |
| Completeness (%) | 99.7 (98.9) | 100 (99.9) |
| Rmerge(I)† (%) | 5.7 (39.9) | 7.4 (49.7) |
| I/σ(I) | 15.9 (5.0) | 7.5 (3.5) |
| Crystallographic data | ||
| Crystal system | Tetragonal | |
| Space group | P43212 | |
| Unit-cell parameters (Å, °) | a = b = 69.1, c = 124.1, α = β = γ = 90 | |
| VM (Å3 Da−1) | 3.22 | |
| No. of molecules in ASU | 1 |
†
R
merge(I) = 
, where Ii(hkl) is the value of the ith measurement of the intensity of a reflection and 〈I(hkl)〉 is the mean value of the intensity of that reflection.