6HLJ

Variant G129S of NuoEF from Aquifex aeolicus - oxidized from

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-06-12
Detector	MARRESEARCH
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	62.584, 115.846, 189.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.430 - 2.100
R-factor	0.1812
Rwork	0.179
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	autoPROC ((version 1.0.5))
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	189.890	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.128	0.987
Rpim	0.061	0.463
Number of reflections	81432	4421
<I/σ(I)>	10.5	1.8
Completeness [%]	99.9	99.9
Redundancy	6.4	6.4
CC(1/2)	0.998	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Tris/HCl 0.1M Sodium citrate