1JR9

Crystal Structure of manganese superoxide dismutases from Bacillus halodenitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-03-03
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	93.120, 93.120, 63.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
Rwork	0.220
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mds
RMSD bond length	0.009
RMSD bond angle	1.440
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.880
High resolution limit [Å]	2.800	3.200 *
Rmerge	0.153 *	0.527 *
Total number of observations	73544 *
Number of reflections	4892 *
<I/σ(I)>	19.7	3.5
Completeness [%]	100.0 *	100 *
Redundancy	18.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	PEG4000, Sodium Cacodylate, Zinc acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%(w/v))
2	1	reservoir	zinc acetate	10 (mM)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
4	1	drop	sodium cacodylate	20 (mM)	pH6.5
5	1	drop	protein	6 (mg/ml)