9FE7

Crystal Structure of oxidized NuoEF variant P228R(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, 116.130, 189.842
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.001 - 2.280
Rwork	0.198
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.463
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]	48.001	2.340
High resolution limit [Å]	2.280	2.280
Rpim	0.089	0.323
Number of reflections	63251	4468
<I/σ(I)>	5.7
Completeness [%]	98.0
Redundancy	4
CC(1/2)	0.982	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	281	100 mM BisTris pH 6.3, 1.65 M ammonium sulfate, 150 mM NaCl