2ZKW

Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21

Replaces:  2YQV

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	P 1 21 1
Unit cell lengths	48.616, 46.233, 52.818
Unit cell angles	90.00, 94.42, 90.00

Refinement procedure

Resolution	33.460 - 1.900
Rwork	0.193
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hl5
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	17839
<I/σ(I)>	10.367	4.25
Completeness [%]	97.0	92.4
Redundancy	3.583	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.2M Ammonium iodide, 20%(w/v) PEG3350, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K