Table 1 Data collection and refinement statistics.

From: Development of a small compound that regulates the function of a maltodextrin-binding protein of Streptococcus pyogenes by multifaceted screenings

Data collection

SPs0871 unbound

Space Group

H3 2

Unit cell

 

a, b, c (Ã…)

118.2, 118.2, 353.9

α, β, γ (°)

90.0, 90.0, 120.0

Resolution (Ã…)

45.3–2.20 (2.32–2.20)

Wavelength

1.0000

Observations

832,407 (83,832)

Unique reflections

47,995 (6,275)

Rmerge

0.084 (0.352)

Rp.i.m

0.020 (0.098)

CC1/2

0.999 (0.985)

I / σ (I)

21.9 (6.8)

Multiplicity

17.3 (13.4)

Completeness (%)

98.4 (89.4)

Refinement Statistics

 

Resolution (Ã…)

45.3–2.20

Rwork / Rfree (%)

18.5 / 22.4

No. copies

2

No. atoms

 

Protein

5,642

Water

312

B-factor (Ã…2)

 

Protein

43.2

Water

35.6

Ramachandran Plot

 

Preferred (%)

95.7

Allowed (%)

4.3

Outliers (%)

0.0

RMSD Bond (Ã…)

0.005

RMSD Angle (°)

1.46

PDB entry code

9KHA

  1. Statistical values in parenthesis refer to the highest resolution bin.
Back to article page