9KUJ

Structure of quinone oxidoreductase from Rouxiella badensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	288.15
Detector technology	PIXEL
Collection date	2023-06-01
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	47.091, 79.473, 173.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.090 - 2.870
Rwork	0.228
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000 (1.0)
Data scaling software	HKL-2000 (1.0)
Phasing software	MOLREP (1.0)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.090	3.080
High resolution limit [Å]	2.870	2.870
Rmerge	0.136	0.453
Rmeas	0.154	0.533
Rpim	0.071	0.273
Number of reflections	15073	8247
<I/σ(I)>	7.9	2.3
Completeness [%]	99.7	99.9
Redundancy	4.4	3.4
CC(1/2)	0.988	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M Lithium nitrate pH 7.1, 20% w/v Polyethylene glycol 3,350