Table 1 Crystallographic statistics of MraZ octamer and MraZ nonameric crystal structures

Data collection

Space group

I₄

P2₁

Unit cell parameters (Å)

143.1, 143.1, 71.46

143.1, 143.1, 71.46

Unit cell parameters (^o)

90.0, 90.0, 90.0

90.0, 111.8, 90.0

Wavelength (nm)

0.9792

0.7749

Resolution range (Å)

101.2 – 1.95

82.19 – 3.85

R_merge

0.45 (1.67)

0.17 (0.79)

R_pim

0.36 (1.33)

0.16 (0.71)

(I/σ(I))

3.9 (1.4)

3.4 (1.6)

Completeness (%)

87.3 (42.2)

83.02 (54.7)

Multiplicity

3.8 (3.9)

13.3 (3.1)

CC (1/2)

0.78 (0.17)

0.99 (0.66)

Structure refinement

Resolution range (Å)

45.25 – 1.96

82.12 – 3.85

No. of unique reflections

37616

31294

R_work / R_free (%)

18.81 / 24.4

24.84 / 30.77

No. of atoms

Protein

4988

40248

 Water molecules

454

0

Overall B factors (Ų)

16.18

107.27

Rms deviations

 Bonds (Å)

0.007

0.004

 Angles (°)

0.855

0.780

Ramachandran favored (%)

95.99

89.49

Ramachandran allowed (%)

4.01

8.13

Ramachandran outliers (%)

0.00

2.39

PDB code

9QLG

9QLR