6HLI

wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-07-22
Detector	MARRESEARCH
Wavelength(s)	1.541790
Spacegroup name	P 21 21 21
Unit cell lengths	63.590, 116.040, 189.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.300 - 2.380
R-factor	0.206
Rwork	0.205
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE
RMSD bond length	0.010
RMSD bond angle	1.040
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]	116.000	2.510
High resolution limit [Å]	2.380	2.380
Rmerge	0.119	0.757
Rpim	0.051	0.351
Number of reflections	57523	8284
<I/σ(I)>	13.2	2.2
Completeness [%]	100.0	100
Redundancy	6.4	6.4
CC(1/2)	0.998	0.778

Crystallization Conditions

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