2ADP

Nitrated Human Manganese Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2005-05-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	81.270, 81.270, 242.181
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.197
Rwork	0.197
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Wild-type human manganese superoxide dismutase with all tyrosines mutated to alanine
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.109	0.149
Number of reflections	60459
<I/σ(I)>	30	15
Completeness [%]	91.3	80.6
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	3 M Ammonium Sulfate, 100 mM Malate, 100 mM imidazole, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K