1ZUQ

Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Spacegroup name	P 61 2 2
Unit cell lengths	79.626, 79.626, 241.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.570 - 2.000
R-factor	0.235
Rwork	0.235
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1noj
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.570	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.226
Number of reflections	30942
<I/σ(I)>	28.6	5.4
Completeness [%]	97.6	96.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	2.5 M ammonium sulfate, 100mM imidazole/malate buffer, pH 7.5, VAPOR DIFFUSION, temperature 293K, pH 7.50