9FIH

Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking

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	63.522, 116.359, 190.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.143 - 2.080
Rwork	0.179
R-free	0.21300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.410
Data reduction software	XDS (VERSION Jan 31, 2020 BUILT=20200131)
Data scaling software	Aimless (0.7.15)
Phasing software	REFMAC (5.8.0425)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.143	2.120
High resolution limit [Å]	2.080	2.080
Rpim	0.097	0.498
Number of reflections	85376	4544
<I/σ(I)>	6.3
Completeness [%]	99.8
Redundancy	4.3
CC(1/2)	0.992	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	281	0.1 M BisTris pH 6.9, 1.55 M ammonium sulfate, 150 mM NaCl