Table 1 Data collection and refinement statistics for the wild-type and T264A HK853cp-BeF3 −-RR468 complexa

From: A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases

 

Wild-type HK853cp-BeF3 −-RR468

T264A HK853cp-BeF3 −-RR468

Data collection

 Space group

C 1 2 1

C 1 2 1

 Cell dimensions

  a, b, c (Å)

177.97, 98.38, 72.05

178.46, 98.34, 71.46

  α, β, γ (°)

90.0, 110.5, 90.0

90.0, 109.8, 90.0

 Resolution (Å)

49.19–2.68 (2.78–2.68)

45.50–3.63 (3.76–3.63)

 R-meas

0.081 (0.886)

0.165 (0.614)

 I /σI

20.73 (3.14)

6.56 (2.41)

 Completeness (%)

100 (100)

100 (97)

 Unique reflections

32,771 (3254)

13,230 (1272)

 Redundancy

7.7 (7.7)

4.2 (4.0)

Refinement

 Resolution (Å)

49.19–2.68 (2.78–2.68)

45.50–3.63 (3.76–3.63)

 Unique reflections

32,762 (3254)

13,230 (1272)

 R work/R free

0.182/0.222

0.208/0.240

 No. of atoms

5714

5462

 Protein

5499

5398

 Ligand/ion

125

64

 Water

90

0

Average B-factors

64.55

103.22

 Protein

64.45

103.16

 Ligand/ion

77.24

108.27

 Water

53.23

 

 R.m.s. deviations

 Bond lengths (Å)

0.005

0.002

 Bond angles (°)

0.81

0.56

 Ramachandran

 Favored (%)

95.6

93.8

 Outliers (%)

0.7

0.3

  1. aValues in parentheses are for highest-resolution shell
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