9HEN

Crystal structure of the oxidized respiratory complex I subunit NuoEF from Aquifex aeolicus, double mutation V90P and 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	2017-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	96.878, 64.190, 124.115
Unit cell angles	90.00, 107.74, 90.00

Refinement procedure

Resolution	48.240 - 2.270
Rwork	0.162
R-free	0.18250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.126
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.240	2.320
High resolution limit [Å]	2.270	2.270
Rpim	0.044	0.286
Number of reflections	66804	4467
<I/σ(I)>	12.8
Completeness [%]	99.1
Redundancy	7
CC(1/2)	0.998	0.857

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