3KH4

Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P6522 crystal form containing 6 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	2009-10-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	112.188, 112.188, 428.268
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.690 - 3.500
R-factor	0.201
Rwork	0.201
R-free	0.20800
RMSD bond length	0.017
RMSD bond angle	1.434
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.690		3.600
High resolution limit [Å]	3.500	20.000	3.500
Rmerge	0.172	0.027	0.586
Number of reflections	21168	148	1668
<I/σ(I)>	13.13	43.1	4.2
Completeness [%]	99.9	91.4	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