Table 3 Crystallographic statistics of PKM2 variants

From: Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation

PKM2

H391Y(Ser)

R399E(Ser)

PDB

4YJ5

5X0I

Data collection

  

Space group

P21

P212121

Unit cell

  a (Å)

73.22

116.60

  b (Å)

140.89

137.88

  c (Å)

108.72

149.71

Resolution (Å)

20.00–2.41

30.00–2.64

Unique reflections

83766

72242

Completeness (%)a

99.9 (99.9)

99.9 (100)

Average I/σ (I)a

17.0 (4.2)

16.6 (4.0)

Redundancya

4.3 (4.4)

4.8 (5.0)

Rmerge(%)a,b

7.8 (39.1)

9.3 (49.7)

Refinement

R value (%)c

14.4

18.0

Rfree value (%)d

21.7

21.8

R.m.s.d. bond lengths (Å)f

0.015

0.016

R.m.s.d. bond angles (°)f

1.906

1.477

Ligands

FBP/Ser

FBP/Ser

  1. aValues in parentheses refer to statistics in the highest-resolution shell
  2. bRmerge = Σ|I − <I>|/Σ(I)
  3. cR = Σ|Fobs-Fcalc|∕ΣFobs, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively
  4. dRfree was computed using 5% of the data assigned randomly
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