5U9M

Copper-Zinc Superoxide Dismutase is Activated through a Sulfenic Acid Intermediate at a Copper-ion Entry Site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	99.097, 184.353, 48.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.917 - 2.350
R-factor	0.1887
Rwork	0.186
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ozu 1jk9
RMSD bond length	0.009
RMSD bond angle	1.142
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.510	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.112	1.125
Number of reflections	38015
<I/σ(I)>	13.8	2
Completeness [%]	99.9	100
Redundancy	7	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25 % PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5