1FUN

SUPEROXIDE DISMUTASE MUTANT WITH LYS 136 REPLACED BY GLU, CYS 6 REPLACED BY ALA AND CYS 111 REPLACED BY SER (K136E, C6A, C111S)

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	287
Spacegroup name	C 2 2 21
Unit cell lengths	205.200, 167.000, 145.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.850
R-factor	0.189
Rwork	0.189
R-free	0.25700 *
Structure solution method	OTHER
RMSD bond length	0.017
RMSD bond angle	1.700
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	99.000
High resolution limit [Å]	2.850
Rmerge	0.105
Number of reflections	58307
Completeness [%]	99.6
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.7 *		Parge, H.E., (1986) J. Biol. Chem., 261, 16215. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	50 (mM)
2	1	drop	protein	2 (%(w/v))
3	1	reservoir	Tris-HCl	50 (mM)
4	1	reservoir		50 (mM)
5	1	reservoir	EDTA	0.1 (mM)
6	1	reservoir		0.01 (%)