Table 1.

Data collection statistics

Data setUBP310UBP302Glutamate
Space groupC2221C2221P21
Unit cell dimensions (Å)
    a97.7097.8862.69
    b97.9597.9173.78
    c129.1128.35115.92
α, β, γ (degrees)90, 90, 9090, 90, 9090, 99.74, 90
Number per a.u.224
Wavelength (Å)1.00001.541780.99997
Resolution (Å)a40–1.74 (1.80)40–1.86 (1.93)30–2.1 (2.18)
Unique observations64,15152,21159,238
Mosaicity0.600.650.58
Mean redundancyb4.9 (4.9)7.1 (6.4)3.4 (3.4)
Completeness (%)b99.9 (99.7)98.6 (85.7)99.8 (100)
Rmerge (%)bc0.038 (0.441)0.057 (0.434)0.084 (0.344)
I/σ(I)b14.5 (3.38)16.3 (4.4)12.3 (3.62)
  • a.u., Asymmetric unit.

  • aValues in parentheses indicate the low-resolution limit for the last shell of data.

  • bValues in parentheses indicate statistics for the last shell of data.

  • cRmerge = (Σ II − <II>)/ΣI II, where <II> is the mean II over symmetry–equivalent reflections.