Table I. X-ray data processing and refinement statistics
Data collection
 Wavelength (Å)1.00
 Space groupP3
 Unit cell parameters
  a, b, c (Å)165.73, 165.73, 122.86
  α, β, γ (°)90.0, 90.0, 120.0
 Resolution (Å)100–2.64 (2.69–2.64)a
 Unique reflections110878
 Rmerge0.172 (0.619)a
 Redundancy7.9 (6.7)a
 Completeness (%)100 (100)a
 I/σI23.4 (2.5)a
Refinement
 Resolution (Å)49.62–2.64
 Rwork/Rfreeb0.266/0.285
 Twin law (-h, -k, l)0.47
 No. protein atoms22994
 No. water molecules40
 Root-mean-square deviations
  Bond lengths (Å)0.006
  Bond angles (°)1.2
 B-factors (Å2)
  Protein57.3
  Water20.7
 Ramachandran plotc
  Most favored regions (%)82.1
  Allowed regions (%)16.8
  Generously allowed regions (%)1.1
  Disallowed regions (%)0
  • a Values in parentheses are for the highest‐resolution shell.

  • b Rwork and Rfree are defined as Σ||Fobs|‐|Fcalc||/Σ|Fobs| for the reflections in the working or the test set, respectively.

  • c As defined by PROCHECK (46).