1B06

SUPEROXIDE DISMUTASE FROM SULFOLOBUS ACIDOCALDARIUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	286
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	168.100, 91.300, 85.700
Unit cell angles	90.00, 91.40, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.174
Rwork	0.174
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	24.360 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.200	2.200 *
Rmerge	0.101
Total number of observations	248523 *
Number of reflections	69271
Completeness [%]	99.5 *	95 *
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	20 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	16.25 (%)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	2-propanol	5 (%(w/v))
4	1	reservoir	HEPES	0.1 (M)