1OEZ

Zn His46Arg mutant of Human Cu, Zn Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-15
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	190.812, 190.812, 34.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.208
Rwork	0.206
R-free	0.23600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hl5
RMSD bond length	0.016 *
RMSD bond angle	1.700 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.150
High resolution limit [Å]	2.150	2.150 *
Rmerge	0.090 *	0.480 *
Total number of observations	652196 *
Number of reflections	35432 *
<I/σ(I)>	12	2
Completeness [%]	99.3	98.6
Redundancy	6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	25 *	0.2M NA2SO4, 15% PEG 3350, pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	potassium phosphate	2.25 (mM)	pH7.0
3	1	reservoir	ammonium sulfate	2.0 (M)