Table 1. Data-collection and reduction statistics of PKS-1 crystals.
Values in parentheses are for the highest resolution shell.
| Crystal A | Crystal B | |
|---|---|---|
| Crystal data | ||
| Space group | P1 | P212121 |
| Unit-cell parameters (Å, °) | a = 54.3, b = 59.3, c = 62.6, α = 69, β = 81, γ = 80 | a = 53.2, b = 110, c = 130 |
| Matthews coefficient (Å3 Da−1) | 2.2 | 2.3 |
| No. of molecules in the ASU | 2 | 2 |
| Data collection | ||
| Wavelength (Å) | 1.0000 | 1.0000 |
| Beamline | BL5A, Photon Factory | BL41XU, SPring-8 |
| Resolution (Å) | 58–1.65 (1.71–1.65) | 84–1.55 (1.61–1.55) |
| No. of observed reflections | 148748 | 618630 |
| No. of unique reflections | 77414 | 108156 |
| Redundancy | 1.9 (1.9) | 5.7 (4.0) |
| 〈I/σ(I)〉 | 29.4 (6.5) | 29.3(2.2) |
| Rmerge† | 0.052 (0.137) | 0.059 (0.303) |
| Completeness (%) | 90.4 (90.4) | 97.3 (86.7) |
| Wilson plot B factor (Å2) | 19.4 | 17.7 |
R
merge =
.