6JOV

Crystal structure of a hypothetical Fe Superoxide dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	55.018, 55.088, 74.623
Unit cell angles	82.28, 89.61, 68.49

Refinement procedure

Resolution	44.895 - 1.941
R-factor	0.1837
Rwork	0.181
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1my6
RMSD bond length	0.006
RMSD bond angle	0.837
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.330	1.990
High resolution limit [Å]	1.940	1.940
Rmerge		0.310
Rmeas	0.080	0.370
Rpim	0.040	0.190
Number of reflections	58082	3866
<I/σ(I)>	12.5
Completeness [%]	97.3	96.6
Redundancy	3.5	3.5
CC(1/2)	0.997	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris 8.0 and 20% PEG 1000