6Q9G

Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	63.330, 116.180, 189.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.400 - 2.100
R-factor	0.1927
Rwork	0.191
R-free	0.23100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.305
Data reduction software	MOSFLM
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]	26.410	26.400	2.140
High resolution limit [Å]	2.100	10.910	2.100
Rmerge	0.204	0.073	0.923
Rmeas	0.222	0.079	1.017
Rpim	0.086	0.030	0.421
Number of reflections	82411	640	4411
<I/σ(I)>	6.5
Completeness [%]	99.8	93	99.5
Redundancy	6.4	6.3	5.6
CC(1/2)	0.993	0.997	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.75	281	(NH4)2SO4, BisTris, NaCl, cryo-protection with glycerol