3MND

Crystallographic analysis of the cystosolic cu/zn Superoxide dismutase from taenia solium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-14
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	42.171, 53.798, 117.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 2.200
R-factor	0.198
Rwork	0.192
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1to4
RMSD bond length	0.007
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.640
High resolution limit [Å]	2.200	2.200
Rmerge	0.116	0.356
Number of reflections	13829
<I/σ(I)>	7	2.8
Completeness [%]	97.7	98.8
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	298	20% w/v polyethylene glycol monomethyl ether 2,000, in hexahydrate 0.1 M Tris buffer pH 8.5 and 0.01 M Nickel (II) chloridE., VAPOR DIFFUSION, HANGING DROP, temperature 298K