8AVM

Mutant of 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	2021-11-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.89842
Spacegroup name	P 21 21 21
Unit cell lengths	79.430, 117.110, 139.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.000 - 2.000
Rwork	0.193
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ues
RMSD bond length	0.010
RMSD bond angle	1.546
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.000	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.158
Rmeas	0.170
Rpim	0.064
Number of reflections	88446	4451
<I/σ(I)>	11	1.4
Completeness [%]	100.0	97.6
Redundancy	13.5	14.2
CC(1/2)	0.999	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	10 mM zinc chloride, 100 mM sodium acetate pH 5.0 and 20% w/v polyethylene glycol 6000.