Skip to main content

Advertisement

Table 1 Crystallographic data

From: Crystal structures of PI3K-C2α PX domain indicate conformational change associated with ligand binding

  Crystal 1 Crystal 2
Space group P 3121 P 3121
Unit cell dimensions (Å, °) a = 56.554, b = 56.554, c = 92.894, α = β = 90, γ = 120 a = 56.866, b = 56.866, c = 92.996, α = β = 90, γ = 120
Z (number in AU) 1 1
Beamline ID14-4 Cu, Rotating Anode
Wavelength (Å) 0.9792 1.5418
Resolution (Å) 48-2.1 (2.27–2.10) 30-2.50 (2.57–2.5)
Unique reflections to 1.9 Å 16365 5731
Reflections used 9844 5458
Completeness 98.9 (100) 89.4 (70.9)
I/σ (I) for the data set (outer shell) 43.7 (2.9) 40 (9.0)
Rmerge (%) (outer shell) 0.057 (0.127) 0.028 (0.107)
Rcryst (outer shell) 0.235 (0.228) 0.231 (0.214)
Rfree (outer shell) 0.280 (0.305) 0.318 (0.236)
R.m.s.d. 1–2 bonds (Å) 0.020 0.032
R.m.s.d. 1–3 angles (Å) 1.760 2.81
  1. Highest resolution shell in parentheses.
  2. Rmerge = ∑hkl | (Ihkl) - <I(hkl)> |/∑ I(hkl).
  3. Rcryst = ∑hkl || Fobs | - | Fcalc ||/∑hkl | Fobs |. For Rfree calculation, 5% of the test set amplitudes were employed, and these were not used in refinement.