Table 1.

Crystallographic statistics

Data collection
Resolution range, Å	12.94–3.1
Total number of reflections	46,286 (475,848)
Unique reflections	46,264
Completeness, %	94.1
Highest resolution shell (3.2–3.1)	70.8
Rmerge, %*	11
I/σ	10.26
Refinement statistics
Number of reflections used in refinement (working set)	43,921
Number of reflections used in refinement (test set)	2,314 (5%)
Number of nonhydrogen atoms	12,934
R factor, %†	28.2
Rfree factor, %‡	33.5
Overall B factor Å2	37.8
rms bond length, Å	0.009
rms bond angle, °	1.639

^*R_merge = Σ_hΣ_i|I(h)_i − 〈I(h)〉|/Σ_hΣ_iI(h)_i, where I(h)_i is the ith measurement. 

^† R factor = Σ∥F_O| − |F_C∥/ΣF_O for all reflections. 

^‡ R_free = Σ∥F_O| − |F_C∥/ΣF_O, calculated on the 5% of data excluded from refinement.