4F2N

Crystal structure of iron superoxide dismutase from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.976484
Spacegroup name	P 1
Unit cell lengths	47.030, 102.740, 168.240
Unit cell angles	91.66, 96.36, 95.01

Refinement procedure

Resolution	19.774 - 1.850
R-factor	0.175
Rwork	0.173
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1isa
RMSD bond length	0.010
RMSD bond angle	1.283
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.774	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.046	0.418
Number of reflections	256038
<I/σ(I)>	17.65	2.8
Completeness [%]	96.2	91.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	EBS internal tracking number 232906f2, LemaA.01199.b.A2_PW34974 at 35.33 mg/mL in 25 mM HEPES, pH 7.0, 500 mM sodium chloride, 2 mM DTT, 0.025% sodium azide, 5% glycerol, 0.4 uL + 0.4 uL drop with 18.4% PEG3350, 184 mM potassium formate, VAPOR DIFFUSION, SITTING DROP, temperature 289K