1N18

Thermostable mutant of Human Superoxide Dismutase, C6A, C111S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1996-02-25
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	C 2 2 21
Unit cell lengths	203.200, 165.200, 144.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.218
Rwork	0.218
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.069 *	0.416 *
Total number of observations	1005920 *
Number of reflections	162732
Completeness [%]	99.2	99.7
Redundancy	3.8 *	3.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8 *	293	Ammonium Sulfate, NaCl, Tris, EDTA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		60-900 (mM)
2	1	1	Tris	50 (mM)	pH8.
3	1	2	Tris	20 (mM)	pH8.5