Table 4.

Data collection and refinement statistics

DatasetHigh-resolution dataset*Low-resolution dataset*
Data collection
 Space groupP3112H32
 Unit cell dimensions (Å)a = b = 120.2; c = 77.8a = b = 209.7; c = 127.4
 Resolution range (Å)62.3–2.30 (2.43–2.30)46.8–3.20 (3.37–3.20)
 Reflections (measured/unique)166,049/28,42390,441/17,855
 Completeness (%)99.8 (99.0)99.9 (98.8)
 Multiplicity5.8 (4.1)2.6 (2.5)
Rsym0.061 (0.683)0.143 (0.807)
Rpim0.027 (0.375)0.070 (0.403)
 Mean [(I)/σ (I)]16.6 (2.1)9.9 (1.8)
 Complexes per asymmetric unit11
 Matthews coefficient (Å3 Da−1)3.776.12
 Solvent content (%)67.479.9
Refinement
 Resolution range (Å)32.7–2.3046.8–3.20
 Rfactor/free Rfactor (%)16.9/20.117.7/20.8
 No. of unique reflections (working/test set)26,958/1,43817,853/911
 Water molecules8723
 Ions1 Na+1 Na+
 Total number of atoms2,6112,512
 Average overall B factor (Å2)64.683.6
 Average protein B factor (Å2)64.883.5
 Average main-chain B factor (Å2)61.781.0
 Average side-chain B factor (Å2)67.886.0
 Average water B factor (Å2)54.865.4
 rmsd bonded Bs (Å2)5.648.64
 rmsd bond lengths (Å)0.0070.009
 rmsd bond angles (°)1.0411.256
  • *Values in parentheses correspond to the outermost resolution shell. Each dataset was collected from a single crystal.