TABLE 1.

Data collection and refinement statistics

Type of dataParameteraValueb
Data collection statisticsca (Å)58.7
b (Å)113.8
c (Å)79.5
β (˚)94.6
Matthews no.2.4
No. of unique reflections17,489
Redundancy5 (3)
Completeness (%)99.5 (97)
Average I/σ(I)20.2 (2.6)
Rmerge (%)10.0 (41.5)
Wavelength (Å)0.91840
Refinement statisticsdNo. of protein atoms6,595
Resolution range (Å)50-3.2
Rwork (%)24.1
Rfree (%)28.5
Rmsd bond distances (Å)0.008
Rmsd bond angles (°)1.003
Average B factor (Å2)82
Main chain (Å2)80
Side chain (Å2)84
Ramachandran plot most favored (%)87.2
  • a Rmerge = Σ|Ihkl − 〈Ihkl〉|/Σ|Ihkl|. Rwork = Σ|Fobs − Fcalc|/Σ|Fobs|. Rfree is the R factor calculated from a subset of reflections excluded from refinement.

  • b The values in parentheses are data for the highest-resolution shell.

  • c The space group is P21.

  • d The Protein Data Bank code is 1SJP.