3KH3

Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P212121 crystal form containing 12 chains in the asymmetric unit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	75.500, 166.610, 174.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 3.500
R-factor	0.244
Rwork	0.243
R-free	0.27700
RMSD bond length	0.013
RMSD bond angle	1.173
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		3.600
High resolution limit [Å]	3.500	50.000	3.500
Rmerge	0.189	0.042	0.575
Number of reflections	28607	9	2306
<I/σ(I)>	11.16	28.9	4.3
Completeness [%]	99.9	60	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	21-25% (w/v) PEG4000, 0.1 M NaOAc, pH 4.2-5.2, vapor diffusion, hanging drop, temperature 292K