Table 1 Data collection, refinement and structure quality.

From: Structural characterization of a GNAT family acetyltransferase from Elizabethkingia anophelis bound to acetyl-CoA reveals a new dimeric interface

Parameter

Value

PDB ID

6AO7

Space group

P6522

Unit-cell parameters

a (Å)

67.16

b (Å)

67.16

c (Å)

134.21

α = β (°)

90

γ (°)

120

Matthews coefficient (Å3Da−1)

2.33

Solvent content (%)

47.25

Resolution range (Å)

50–1.85 (1.90–1.85)a

Mean I/σ(I)

35.45 (4.88)

No. of observed reflections

15,998 (1150)

Completeness (%)

99.6 (100)

Multiplicity

13.8 (14.3)

Rmerge

0.038 (0.515)

Refinement

No. of used reflections

15,975

Rwork (%)

0.200

Rfree (%)

0.244

Mean B factor (Å2)

48.0

RMSD bonds (Å)

0.007

RMSD angles (°)

0.901

Model validationb

MolProbity

 Clash score, all atoms

2.84

 Ramachandran favored (%)

98.7

 Ramachandran outliers (%)

0

 MolProbity score

1.23

  1. aValue in parenthesis are statistics for the highest resolution shell.
  2. bValues calculated using Molprobity.
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