8QH7

Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent)

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	2018-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	63.233, 116.449, 190.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.695 - 1.850
Rwork	0.171
R-free	0.20060
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.165
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.9)
Phasing software	REFMAC (5.8.0352)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	1.880
High resolution limit [Å]	1.850	1.850
Rpim	0.039	0.421
Number of reflections	120438	5883
<I/σ(I)>	13.6	2.1
Completeness [%]	99.9	99.9
Redundancy	13.5	13.3
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	trisodium citrate, ammonium sulfate, sodium chloride, Tris, BisTris