6Y9C

The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9119
Spacegroup name	P 63
Unit cell lengths	91.242, 91.242, 87.366
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.230 - 1.800
R-factor	0.2483
Rwork	0.246
R-free	0.29230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vcp
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.230	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.174	1.350
Rmeas	0.182	1.442
Rpim	0.051	0.499
Number of reflections	38296	3808
<I/σ(I)>	4.15	0.36
Completeness [%]	94.7
Redundancy	11.8
CC(1/2)	0.988	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	295	10mM HEPES, 20% PEG3350, 0.2M NaSCN, 0.5mM TCEP