6SAQ

wild-type NuoEF from Aquifex aeolicus bound to NADH-OH

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)	1.000020
Spacegroup name	P 1 21 1
Unit cell lengths	95.976, 63.794, 121.398
Unit cell angles	90.00, 105.65, 90.00

Refinement procedure

Resolution	29.220 - 2.020
R-factor	0.16
Rwork	0.159
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hlm
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.900	2.130
High resolution limit [Å]	2.020	2.020
Rmerge	0.072	0.515
Rpim	0.050	0.352
Number of reflections	92408	13438
<I/σ(I)>	11.4	2.5
Completeness [%]	99.9
Redundancy	3.8
CC(1/2)	0.997	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 8000, Ethylen glycol, 0.1M MES-imidazole