Table 1 Crystallographic data

From: The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile

Crystal

EtfAB/Bcd

Crystallization conditions

0.1 M calcium acetate; 14 % (v/v) PEG 400; 0.1 M MES, pH 6.5

Cryo conditions

0.1 M calcium acetate; 0.1 M MES, pH 6.5; 30 % PEG 400; 10 µM FAD

Data collection

Space group

I4122

Wavelength [Å]

1.0

Resolution range [Å]

50.0-3.1 (3.2-3.1)

Unit cell a; b; c [Å]

177.1, 177.1, 493.2

Redundancy

7.2 (7.6)

Completeness [%]

98.9 (98.4)

Rsym [%]

14.3 (364.1)

I/σ(I)

11.1 (0.9)

Refinement

No. reflections

69810 (6711)

Mol. asym. unit

2 EtfAB/Bcd

No. of atoms: polypeptide, ligands

14744, 421

R work, R free (%)

20.8 (47.5), 25.9 (51.9)

B average2): polypeptide, ligands

130.3, 150.8

R.m.s. deviation

 

Bond lengths (Å)

0.018

Bond angles (°)

1.87

Ramachandran plot favored, outliers (%)

92.0, 0.4

PDB ID

5OL2