4YET

X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD

Replaces:  4K2W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	55.750, 69.090, 114.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.153 - 1.750
R-factor	0.1446
Rwork	0.143
R-free	0.17630
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.084
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	7.830	1.800
High resolution limit [Å]	1.750	5.530	1.750
Rmerge	0.040	0.025	0.360
Rmeas	0.042	0.026	0.399
Total number of observations	421159
Number of reflections	44891	999	3080
<I/σ(I)>	35.95	91.68	4.54
Completeness [%]	98.5	100	92.4
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M TRIS HCl Ph 8.5, 25% PEG 3350,