Table 1.
Data collection and refinement statistics
| Peak | Edge | Remote | Native | |
| Wavelength (Å) | 0.9793 | 0.9797 | 0.9763 | 0.934 |
| Unit-cell parameters a, b, c (Å) | 128.05, 255.63, 48.52 | 128.19, 255.07, 48.17 | ||
| Resolution (Å) | 2.56 | 1.70 | ||
| Total no. of refl. | 278,913 | 239,541 | 203,543 | 956,280 |
| Total no. of unique refl. | 47,594 | 47,380 | 48,116 | 174,329 |
| Multiplicity | 5.9 | 5.1 | 4.2 | 5.49 |
| Rmergea | 0.087 | 0.091 | 0.089 | 0.125 |
| I/σ(I) | 17.2 | 15.0 | 13.2 | 12.2 |
| Overall completeness (%) | 90.3 | 90.1 | 90.4 | 99.3 |
| FoM before/after density modification | 0.47/0.77 | |||
| Reflections (work/test) | 165,607/8721 | |||
| Rcryst/Rfreeb | 0.15/0.18 | |||
| Nonhydrogen atoms | 12,434 | |||
| Water molecules | 1670 | |||
| RMSD, bonds (Å) | 0.015 | |||
| Angles (°) | 1.53 | |||
| Mean B factor (Å2) | 13.4 |
aRmerge = ∑h∑i|Ihi − 〈Ih〉|/∑h∑i|hi, where Ihi is the ith observation of the reflection h, while 〈Ih〉 is the mean intensity of reflection h.
bRfactor = ∑||Fo| − |Fc||/|Fo|. Rfree was calculated with a set of randomly selected reflections (5%).