7SBH

Crystal structure of the iron superoxide dismutase from Acinetobacter sp. Ver3

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	2020-02-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	70.933, 87.016, 75.606
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.490 - 1.340
R-factor	0.1452
Rwork	0.144
R-free	0.16240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1isa
RMSD bond length	0.012
RMSD bond angle	1.147
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.540	1.370
High resolution limit [Å]	1.340	1.340
Rmerge	0.062	0.749
Rmeas	0.067	0.833
Rpim	0.026	0.360
Number of reflections	51999	2402
<I/σ(I)>	18.9	2.4
Completeness [%]	99.7
Redundancy	6.6
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22 % w/v PEG 8000, 100 mM sodium cacodylate pH 7.5, 200 mM magnesium acetate, 1 mM flavin mononucleotide