3F7K

X-ray Crystal Structure of an Alvinella pompejana Cu,Zn Superoxide Dismutase- Hydrogen Peroxide Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	90
Detector technology	CCD
Collection date	2004-10-27
Detector	ADSC QUANTUM 315
Spacegroup name	P 61 2 2
Unit cell lengths	62.563, 62.563, 163.745
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 1.350
R-factor	0.128
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
Data reduction software	XFIT
Data scaling software	HKL-2000
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.350	1.350
Number of reflections	39844
<I/σ(I)>	22.62	2.1
Completeness [%]	93.6	58
Redundancy	4.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	298	55% saturated ammonium sulfate, 100 mM Na citrate followed by transfer to 90% saturated ammonium sulfate, 100 mM Na citrate (pH 5.5) and 1 mM hydrogen peroxide, VAPOR DIFFUSION, HANGING DROP, temperature 298K