1PU0

Structure of Human Cu,Zn Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	96
Detector technology	IMAGE PLATE
Collection date	1999-03-17
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	C 2 2 21
Unit cell lengths	203.580, 165.680, 144.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.2102
Rwork	0.210
R-free	0.24300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sos
RMSD bond length	0.020
RMSD bond angle	2.000 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.061 *	0.320 *
Total number of observations	1361069 *
Number of reflections	262366
Completeness [%]	99.5	99.2
Redundancy	5.18 *	3.76 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	ammonium sulphate, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ammonium sulfate	2.6 (M)
3	1	reservoir		1.45 (M)
4	1	reservoir	Tris-HCl	50 (mM)	pH7.5