4E4E

Crystal Structure of the Y34F mutant of Saccharomyces cerevisiae Manganese Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9641
Spacegroup name	P 1
Unit cell lengths	61.139, 63.022, 63.943
Unit cell angles	112.19, 106.78, 103.88

Refinement procedure

Resolution	32.183 - 1.880
R-factor	0.1919
Rwork	0.190
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsu
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.970
High resolution limit [Å]	1.880	4.090	1.880
Rmerge	0.122	0.083	0.547
Number of reflections	59948
<I/σ(I)>	5.5
Completeness [%]	96.7	93.6	96.3
Redundancy	2.8	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.2 M sodium malonate, 20% PEG 3350, pH 7.0, vapor diffusion, hanging drop, temperature 277K