2QKA

Structural and Kinetic Study of the Differences between Human and E.coli Manganese Superoxide Dismutases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	81.162, 81.162, 242.771
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.195
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1luv
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.054	0.043	0.110
Number of reflections	23426
<I/σ(I)>	10.3
Completeness [%]	93.7	91.9	88
Redundancy	1.8	1.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	300	2.5M ammonium sulfate, 0.1M malic acid, 0.1M imidazole, pH 8.0, VAPOR DIFFUSION, temperature 300K