3C3S

Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	300
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 61 2 2
Unit cell lengths	81.270, 81.270, 242.501
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.970 - 2.500
R-factor	0.179
Rwork	0.179
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1luv
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	15609
<I/σ(I)>	22.2
Completeness [%]	90.1	92.7
Redundancy	5.4	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	300	100mM Imidzole, 100mM Malic Acid, 3.0M Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K