Table I. Data and statistics
DataSe PeakNative
Beamline19-ID, APS19-ID, APS
Wavelength (Å)0.979180.97918
Space groupI222I222
Cell parameters: a, b, c (Å)54.8, 65.8, 89.955.0, 65.8, 89.6
Resolution (Å)50–2.050–1.8
Total reflections75,371104,869
Unique reflections11,167 (973)15,902 (1,478)
Redundancy6.7 (5.1)6.6 (4.9)
Completeness (%)98.2 (87.0)99.4 (94.9)
I/σ19.8 (3.0)19.2 (2.3)
Rsym (%)9.6 (40.6)10.0 (55.5)
Refinement StatisticsNative
Resolution range used (Å)32.9–1.8
No. reflections used15,387
Rwork/Rfree18.0/22.3
r.m.s. deviations
Bond lengths (Å)0.007
Bond angles (°)1.003
Ramachandran values
Preferred regions (%)97.0
Allowed regions (%)3.0
  • Values in parentheses are for the highest resolution shell, 2.07–2.0 Å (Se Peak) and 1.86–1.80 Å (native). Rsym = Σ |IobsIavg|/ Σ Iavg; Rwork = Σ|| Fobs | − |Fcalc||/Σ Fobs. Rfree was calculated using 5% of data.

  • r.m.s., Root mean square.