TABLE 1.
Statistics for the x-ray diffraction data sets
| Structure | Truncated Se-Met hACLY complex with citrate | Truncated Se-Met hACLY complex with citrate | Truncated hACLY complex with tartrate |
|---|---|---|---|
| X-ray source | CLS PX | CLS PX | ALS 8.3.1 |
| Wavelength (Å) | 0.98055 | 0.98055 | 1.11587 |
| Space group | C2 | C2 | C2 |
| Cell dimensions | a = 169.20 Å | a = 169.20 Å | a = 168.19 Å |
| b = 61.71 Å | b = 61.70 Å | b = 60.79 Å | |
| c = 109.43 Å | c = 109.42 Å | c = 109.18 Å | |
| α = γ = 90° | α = γ = 90° | α = γ = 90° | |
| β = 125.0° | β = 125.0° | β = 125.0° | |
| Resolution range (Å) (high resolution) | 39.90–2.50 (2.64–2.50) | 89.64–2.10 (2.21–2.10) | 55.64–2.20 (2.32–2.20) |
| Rmergea (%) (high resolution) | 7.7 (17.5) | 9.5 (46.1) | 7.9 (45.0) |
| 〈I/σ(I)〉b (high resolution) | 10.8 (5.7) | 8.1 (2.7) | 9.2 (2.4) |
| Number of unique observations (high resolution) | 32,300 (4,666) | 54,277 (7,896) | 45,944 (6,676) |
| Average redundancy (high resolution) | 3.8 (3.8) | 3.8 (3.8) | 2.8 (2.8) |
| Completeness (%) (high resolution) | 100.0 (100.0) | 100.0 (100.0) | 99.4 (99.7) |
a Rmerge = (ΣhΣi|Ihi − 〈Ih〉|)/ΣhΣi〈Ih〉, where Ihi is the intensity of an individual measurement of reflection h and 〈Ih〉 is the mean value for all equivalent measurements of this reflection.
b 〈I/σ(I)〉 is the mean of the ratio of the intensity to the standard deviation for all reflections.