Table 1.

Data collection, refinement, and model validation statistics

Data Collection
Resolution, Å	35–2.8
Observations	238,127
Unique reflections	16,960
Completeness, %	95.4 (79.4)*
Rmerge†, %	5.6 (25.3)*
Wilson B, Å2	70
Refinement
Resolution range, Å	35–2.8
Reflections used (free reflections)	15,270 (815)
Rcryst(Rfree)‡, %	21.5 (26.7)
Estimated coordinate error§, Å	0.34
rms deviation from ideal geometry
Bond length, Å	0.014
Bond angle distance, Å	0.045
Bonded ΔB, Å2¶	2.3
Average B factor, Å2	56.7
A, B, L (a, b, l, p), %‖	82.8 (17.2)

^*Value in parentheses are for highest resolution shell 2.85–2.80 Å. 

^†R_merge = Σ|/(h) − 〈/(h)〉|/Σ/(h). 

^‡R_cryst = 100 × Σ|F_obs − F_calc|/Σ|F_obs|; R_free is as R_cryst but calculated over 5% of the data that were excluded from the refinement process. 

^§Based on R_free from refmac (15). 

^¶rms deviation between B factors for all bonded atoms. 

^‖Percentage of residues located in most favored (additional) regions of the Ramachandran plot as determined by procheck (17).