9FIJ

Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus

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	63.984, 113.438, 189.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.687 - 2.350
Rwork	0.193
R-free	0.23630
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.296
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]	48.687	2.410
High resolution limit [Å]	2.350	2.350
Rpim	0.077	0.436
Number of reflections	58277	4480
<I/σ(I)>	7.4
Completeness [%]	99.9
Redundancy	6.4
CC(1/2)	0.996	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	281	0.1 M Tris pH 7.1, 0.85 M Na3-citrate, 0.1 M NaCl