9YUW

Crystal structure of sulfoquinovose dioxygenase from Marinobacterium aestuarii in complex with Mn(II), alpha-ketoglutarate, and sulfoquinovose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	C 2 2 21
Unit cell lengths	108.888, 117.974, 59.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.794 - 2.100
Rwork	0.193
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.355
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.794	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	22708	1798
<I/σ(I)>	13.3
Completeness [%]	99.7
Redundancy	6.8
CC(1/2)	1.000	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium malonate