8AVL

Superoxide dismutase SodFM2 from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.89843
Spacegroup name	P 1 21 1
Unit cell lengths	71.130, 100.110, 103.600
Unit cell angles	90.00, 91.80, 90.00

Refinement procedure

Resolution	103.549 - 1.600
Rwork	0.133
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ues
RMSD bond length	0.010
RMSD bond angle	1.485
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.550	103.550	1.630
High resolution limit [Å]	1.600	8.760	1.600
Number of reflections	190799	1224	9403
<I/σ(I)>	12
Completeness [%]	100.0
Redundancy	7	6.6	7.2
CC(1/2)	0.998	0.990	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM sodium chloride, 100 mM Tris pH 8.5 and 25 % w/v polyethylene glycol 3350.