Table 1 Data collection and refinement statistics (molecular replacement).

From: The gastrointestinal pathogen Campylobacter jejuni metabolizes sugars with potential help from commensal Bacteroides vulgatus

 

FucX

FucX NADP complex

Data collection

Space group

C2221

P1

Cell dimensions

  a, b, c (Å)

101.2, 109.0, 105.7

68.5, 68.5, 70.7

  α, β, γ (°)

90.0, 90.0, 90.0

89.3, 113.4, 115.7

Resolution (Å)

25.00–1.60 (1.63–1.60)

30.0–2.15 (2.19–2.15)

Rmerge

0.071 (0.328)

0.116 (0.385)

I / σI

22.9 (2.6)

11.3 (2.4)

Completeness (%)

99.7 (99.1)

95.7 (95.7)

Redundancy

4.7 (2.8)

3.8 (2.2)

Refinement

Resolution (Å)

1.60

2.15

No. reflections

69589

53537

Rwork / Rfree

0.17/0.21

0.16/0.21

No. atoms

  Protein

2074 (A), 2080 (B)

2012 (A), 2040 (B), 2039 (C), 2022 (D)

  Ligand/ion

36 (EDO)

192 (NAP), 18 (GOL), 4 (MG)

  Water

494

471

B-factors

  Protein

18.6 (A), 17.3 (B)

27.2 (A), 26.8 (B), 27.1 (C), 27.6 (D)

  Ligand/ion

24.3 (EDO)

27.1 (NAP), 40.0 (GOL), 21.1 (MG)

  Water

28.7

30.9

R.m.s. deviations

  Bond lengths (Å)

0.006

0.007

  Bond angles (°)

0.745

0.956

  1. Values in parentheses are for highest-resolution shell
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