Table 1 Crystallographic data and refinement statistics.

Data collection*
Space groupP21
Cell dimensions
a, b, c (Å)40.56, 97.36, 49.16
α, β, γ (°)90.00, 99.90, 90.00
Resolution (Å)26.96–1.90 (1.94–1.90)*
Rsym or Rmerge0.071 (0.326)
II7.2 (2.0)
Completeness (%)98.1 (96.1)
Redundancy2.3 (2.3)
Refinement
Resolution (Å)24.21–1.90 (1.96–1.90)
No. of reflections28,986 (2453)
Rwork/Rfree0.1793/0.2102 (0.2481/0.2940)
No. of atoms (nonhydrogen)
  Protein3012
  Ligand/ion30
  Water168
B factors
  Protein44.24
  Ligand/ion57.02
  Water41.98
Root mean square deviations
  Bond lengths (Å)0.005
  Bond angles (°)0.832

*One crystal was used for the structure. Values in parentheses are for highest-resolution shell.