6Q9K

Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M 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	2018-12-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	63.380, 115.940, 189.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.260 - 1.990
R-factor	0.1895
Rwork	0.188
R-free	0.21860
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.273
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.260	21.250	2.020
High resolution limit [Å]	1.990	10.900	1.990
Rmerge	0.182	0.065	0.867
Rmeas	0.200	0.071	0.961
Rpim	0.081	0.028	0.403
Number of reflections	96646	584	4699
<I/σ(I)>	6.9
Completeness [%]	99.8	86.7	99.3
Redundancy	5.8	5.7	5
CC(1/2)	0.992	0.997	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.25	281	(NH4)2SO4, BisTris, NaCl, cryo-protection with glycerol