9HEM

Crystal structure of the oxidized respiratory complex I subunit NuoEF from Aquifex aeolicus, mutation V136M(NuoE), bound to NAD+

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 PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	92.723, 63.372, 123.429
Unit cell angles	90.00, 107.26, 90.00

Refinement procedure

Resolution	46.200 - 2.600
Rwork	0.246
R-free	0.29010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.186
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	2.700
High resolution limit [Å]	2.600	2.600
Rpim	0.067	0.447
Number of reflections	42296	4427
<I/σ(I)>	9.2	1.8
Completeness [%]	99.5	99.7
Redundancy	7.1	7.2
CC(1/2)	0.996	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	0.1 M BisTris, 1.35-1.45 M ammonium sulfate, 0.1 M NaCl