Table 3.

Data collection and refinement statistics

Data collection and processing
Resolution range, Å	37.4–1.8
Total measurements	412,908
Unique reflections	117,329
Completeness, %*	98.8 (97.7)
Rsym, %*†	7.1 (30)
〈I/σ〉*	5.2 (2.4)
Refinement statistics
Resolution range, Å	37.4–1.8
Rcryst/Rfree, %‡	18.3/21.0
rms deviation bond lengths, Å	0.009
rms deviation angles, °	1.5
Number of atoms (protein/water)	9,113/832
Average B factors (protein§/water), Å2	26.1/36.7

^*The numbers in parentheses refer to the 1.9- to 1.8-Å resolution shell. 

^† R_sym = Σ(I_h,i − 〈I_h〉)/ΣI_h,i 

^‡ R_cryst and R_free = Σ|F_obs − F_calc|/Σ|F_obs|, where R_free was calculated over 1,164 amplitudes chosen at random and not used in the refinement. 

^§ For individual subunits, the average B factors were 25.6 Ų (A), 27.5 Ų (B), 26.8 Ų (C), and 24.7 Ų (D).