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

From: Genetically detoxified pertussis toxin displays near identical structure to its wild-type and exhibits robust immunogenicity

 

gdPT

Data collection

 

 Space group

P212121

 Cell dimensions

 

  a, b, c (Å)

94.46, 160.79, 194.82

  α, β, γ (°)

90, 90, 90

 Resolution (Å)

2.13 (2.2)a

 Rsym or Rmerge

0.065 (1.95)

 I/σI

11.5 (0.8)

 Completeness (%)

99.8 (99.5)

 Redundancy

4.8 (6.4)

Refinement

 

 Resolution (Å)

2.13 (2.2)

 No. of reflections

165,138 (11,816)

 Rwork/Rfree

0.2600/0.2410

 No. of atoms

 

  Protein

14,506

  Ligand/ion

54

  Water

524

 B-factors

 

  Protein

64.9

  Ligand/ion

93.5

  Water

61.5

 R.m.s. deviations

 

  Bond lengths (Å)

0.007

  Bond angles (°)

0.93

  1. Values in parentheses are for the highest-resolution shell.
  2. aOne crystal was used to solve the structure.
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