1KKC

Crystal structure of Aspergillus fumigatus MnSOD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-23
Detector	Prophysics XRM-216
Spacegroup name	P 21 21 21
Unit cell lengths	65.882, 98.697, 139.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 * - 2.000
R-factor	0.194 *
Rwork	0.194
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.083 *	0.333 *
Total number of observations	257369 *
Number of reflections	56585 *
Completeness [%]	91.0	34.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	23 *	PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)	in water
2	1	drop		0.1 (mM)
3	1	reservoir	PEG400	27 (%)
4	1	reservoir	Tris-HCl	100 (mM)	pH8.