9FEA

Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9724
Spacegroup name	P 21 21 21
Unit cell lengths	63.582, 115.785, 190.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.486 - 1.660
Rwork	0.173
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.476
Data reduction software	XDS (VERSION Jan 31, 2020 BUILT=20200131)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.486	1.690
High resolution limit [Å]	1.660	1.660
Rpim	0.064	0.506
Number of reflections	161000	7841
<I/σ(I)>	6.9
Completeness [%]	97.2
Redundancy	4
CC(1/2)	0.993	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	281	100 mM BisTris pH 6.5, 1.6 M ammonium sulfate, 150 mM NaCl