1EM1

X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-01-15
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	79.643, 79.643, 241.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.790 - 2.130
R-factor	0.232
Rwork	0.232
R-free	0.26400
RMSD bond length	0.008
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.100	2.120
Rmerge	0.077	0.332
Total number of observations	89153 *
Number of reflections	26135 *
<I/σ(I)>	8.7	3.33
Completeness [%]	97.9	99.6
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	293	ammonium sulfate, imidazole/malate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	2.0-2.8 (M)
2	1	drop	imidazole malate	100 (mM)
3	1	reservoir	ethylene glycol	20 (%)