Table 1 Crystal data collection and processing statistics.

From: Comparative analysis of two paradigm bacteriophytochromes reveals opposite functionalities in two-component signaling

Data collection

Space group

P 41 21 2

Cell dimensions

 a, b, c (Å)

87.65, 87.65, 181.21

 α, β, γ (°)

90.00, 90.00, 90.00

Resolution (Å)

49.74–2.0 (2.15–2.10)a

Rmerge

0.172 (2.882)

CC1/2

0.999 (0.503)

I/σ(I)

12.01 (1.09)

Completeness (%)

100.0 (100.0)

Redundancy

4.13 (3.94)

Wilson B factor

49.54

Refinement

Resolution (Å)

49.74–2.10 (2.15–2.10)a

No. of reflections

39,970 (2891)a

Rwork/Rfree

0.181/0.218b (0.330/0.318)

Overall B factor

59.84

No. of atoms

 Protein

4,389

 Heterogenc

9

 Water

240

Geometry

RMSD

 Bond lengths (Å)

0.013

 Bond angles (°)

1.811

Ramachandran

 Favored (%)

96

 Allowed (%)

16

 Outliers (%)

5

PDB Code

6XVU

  1. aOuter shell values used in the refinement are in parentheses.
  2. bTest set for Rfree calculation constitutes 5% of total reflections that were randomly chosen.
  3. cThis includes nine Ca2+ atoms.
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