Table 1

Data collection and refinement statistics

Data processing
 Resolution (Å)40.0–2.20 (2.28–2.20)
 Number of reflections139,486 (13,849)
 Redundancy2.1 (2.1)
II14.2 (3.3)
 Completeness (%)98.0 (97.1)
Rsym (%)*4.5 (28.7)
Refinement
 Data range (Å)40.0–2.20 (2.34–2.20)
 Reflections in working set131,678 (20,366)
 Reflections in Rfree set2713 (419)
Rcrys (%)20.5 (30.0)
Rfree (%)24.0 (34.8)
 Number of protein atoms15,716
 Number of solvent atoms1,446
 rms deviation bond length (Å)0.194
 rms deviation bond angles (°)1.9
 Mean B value (Å2)41.1
  • * Rsym = Σh′〈|IhIh′|〉/Σh′Ih′, where 〈|IhIh′|〉 is the average of the absolute deviation of a reflection Ih′ from the average Ih of its symmetry and Friedel equivalents. 

  • Rcrys = Σ∥Fo| − |Fc∥/Σ|Fo|, where Fc is the calculated structure factor. 

  • Rfree is as for Rcrys but calculated for 2% of randomly chosen reflections that were omitted from the refinement.