9FE8

Crystal Structure of reduced 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	63.084, 116.217, 190.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.638 - 2.340
Rwork	0.184
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.414
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]	49.638	2.400
High resolution limit [Å]	2.340	2.340
Rpim	0.068	0.508
Number of reflections	59973	4575
<I/σ(I)>	8.2
Completeness [%]	100.0
Redundancy	11.2
CC(1/2)	0.996	0.761

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