6Q9C

Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	63.279, 115.829, 189.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.440 - 1.780
R-factor	0.1809
Rwork	0.179
R-free	0.20740
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	1.218
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.440	49.440	1.810
High resolution limit [Å]	1.780	9.750	1.780
Rmerge	0.197	0.105	1.498
Rmeas	0.205	0.110	1.555
Rpim	0.055	0.032	0.415
Total number of observations	1835069
Number of reflections	134290	955	6611
<I/σ(I)>	7.2
Completeness [%]	100.0	99.3	100
Redundancy	13.7	12.2	13.8
CC(1/2)	0.995	0.996	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	281	(NH4)2SO4, BisTris, NaCl, cryo-protection with glycerol