9FE0

Crystal Structure of reduced NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	63.527, 116.500, 190.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.197 - 2.200
Rwork	0.186
R-free	0.22860
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	1.284
Data reduction software	XDS (VERSION Feb 5, 2021 BUILT=20210323)
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC (5.8.0425)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.250
High resolution limit [Å]	2.200	2.200
Rpim	0.070	0.420
Number of reflections	72750	4416
<I/σ(I)>	7.9
Completeness [%]	99.9
Redundancy	9.7
CC(1/2)	0.996	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	281	100 mM BisTris pH 6.3, 1.4 M ammonium sulfate, 100 mM NaCl