6HL4

wild-type NuoEF from Aquifex aeolicus - reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-10-25
Detector	MARRESEARCH
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	59.741, 108.117, 188.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.960 - 2.060
R-factor	0.207
Rwork	0.205
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE
RMSD bond length	0.008
RMSD bond angle	0.980
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]	188.180	2.180
High resolution limit [Å]	2.060	2.060
Rmerge	0.110	0.312
Rmeas	0.135	0.420
Rpim	0.060	0.242
Number of reflections	65727	7715
<I/σ(I)>	9.3	2.7
Completeness [%]	86.7	71.1
Redundancy	4.9	3.1
CC(1/2)	0.994	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	0.1M Tris/HCl 0.1M Sodium citrate