6KOB

X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	110.889, 158.070, 147.009
Unit cell angles	90.00, 107.47, 90.00

Refinement procedure

Resolution	50.060 - 3.600
Rwork	0.321
R-free	0.35050
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3235)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.061	3.700
High resolution limit [Å]	3.600	3.600
Rmerge	0.154	1.092
Rpim		0.769
Number of reflections	55612	4567
<I/σ(I)>	3.2
Completeness [%]	99.7
Redundancy	3.2
CC(1/2)	0.965	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Calcium chloride, 0.1M Tris pH 6.3, and 13% PEG 2000 MME