9YUX

Crystal structure of sulfoquinovose dioxygenase from Marinobacterium aestuarii in complex with Mn(II) and succinate

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	2024-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	C 2 2 21
Unit cell lengths	108.639, 117.648, 59.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.939 - 1.573
Rwork	0.166
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.473
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]	47.480	1.600
High resolution limit [Å]	1.570	1.570
Number of reflections	52605	2440
<I/σ(I)>	11.1
Completeness [%]	99.5
Redundancy	6.5
CC(1/2)	1.000	0.840

Crystallization Conditions

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