2R27

Constitutively zinc-deficient mutant of human superoxide dismutase (SOD), C6A, H80S, H83S, C111S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-01-15
Detector	MAR CCD 130 mm
Wavelength(s)	1.08
Spacegroup name	C 1 2 1
Unit cell lengths	107.200, 35.900, 68.300
Unit cell angles	90.00, 104.80, 90.00

Refinement procedure

Resolution	19.200 - 2.000
R-factor	0.187
Rwork	0.184
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n18
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.200	2.070
High resolution limit [Å]	2.000	2.000
Rmerge		0.364
Number of reflections	15899
Completeness [%]	91.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	2.45 M ammonium sulfate, 200 mM NaCl in 50 mM Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K