1EQW

CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-05-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	142.140, 40.659, 114.254
Unit cell angles	90.00, 107.73, 90.00

Refinement procedure

Resolution	22.600 - 2.300
R-factor	0.226
Rwork	0.226
R-free	0.28300
RMSD bond length	0.006
RMSD bond angle	1.350
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.600	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.356
Total number of observations	255605 *
Number of reflections	27119
<I/σ(I)>	13
Completeness [%]	96.2	93.2 *
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	21 *	PEG 8000, sodium chloride, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	20 (%(w/v))
3	1	reservoir		100 (mM)
4	1	reservoir	sodium acetate	50 (mM)