9FDK

Crystal Structure of oxidized NuoEF variant R66G(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	63.283, 116.318, 189.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.091 - 1.800
Rwork	0.156
R-free	0.18640
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.434
Data reduction software	XDS (VERSION Jan 31, 2020 BUILT=20200417)
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]	63.300	1.830
High resolution limit [Å]	1.800	1.800
Rpim	0.042	0.456
Number of reflections	130020	6345
<I/σ(I)>	11	1.9
Completeness [%]	99.9
Redundancy	6.3
CC(1/2)	0.998	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	281	0.1 M BisTris pH 6.3, 1.4 M ammonium sulfate, 100 mM NaCl