4U4I

Megavirus chilensis superoxide dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	105
Detector technology	CCD
Collection date	2012-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	70.626, 70.626, 117.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.040 - 2.200
R-factor	0.1897
Rwork	0.186
R-free	0.22640
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.140	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.800
Number of reflections	15785
<I/σ(I)>	6.3	1
Completeness [%]	100.0	100
Redundancy	14.9	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M sodium acetate buffer, 20%(w/v) PEG 4000, 20%(v/v) MPD