2ZKX

Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group I212121

Replaces:  2YQW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-31
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	I 21 21 21
Unit cell lengths	73.105, 113.080, 146.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.550 - 2.720
Rwork	0.176
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hl5
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	16145
<I/σ(I)>	12.12	2.704
Completeness [%]	97.3	86.7
Redundancy	6.341	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1M Sodium Acetate(pH 4.6), 1.5M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K