2QKC

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
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	2007-05-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	81.108, 81.108, 242.545
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.199
R-free	0.20600
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	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.073	0.055	0.131
Number of reflections	20323
<I/σ(I)>	38.4
Completeness [%]	92.6	81	90.4
Redundancy	3.1	3	2.8

Crystallization Conditions

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