9HE5

Crystal structure of the oxidized respiratory complex I subunit NuoEF from Aquifex aeolicus, mutation V90P(NuoE)

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	2012-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	96.246, 64.326, 121.576
Unit cell angles	90.00, 106.35, 90.00

Refinement procedure

Resolution	116.661 - 1.844
Rwork	0.168
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.661	2.060
High resolution limit [Å]	1.840	1.840
Rmerge	0.071	0.461
Rmeas	0.083	0.539
Rpim	0.042	0.275
Total number of observations		129219
Number of reflections	122759	34743
<I/σ(I)>	13.7	3.3
Completeness [%]	99.7
Redundancy	3.7	3.7
CC(1/2)	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris pH 6.8-7.1, 0.8-1.05 M Na3Citrat, 0.1 M NaCl